Geometry & MOs

Info

ID:	320857
PubChem CID:	126663880
Reduced:	F2N3O7C27H33 (1)
Stoich.:	A2B3C7D27E33 (1)
Weight, g/mol:	611.357051
ΔH_f, kcal/mol:	-364.93
Dipole, Da:	8.06
IP(EA), eV:	-8.57(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,4aS,5aR,12aS)-8-[[2-cyclohexylethyl(ethyl)amino]methyl]-4-(dimethylamino)-3,10,11-trihydroxy-7,12a-dimethoxy-12-oxo-1,4,4a,5,5a,6-hexahydrotetracene-2-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H]1CC2=C(C(=CC(=C2C(=C1C(=O)[C@]3([C@H]([C@@H](C(=O)C(=C3O)C(=O)N)N(C)C)C)O)O)O)CN4CC[C@@H](C4)F)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H]1CC2=C(C(=CC(=C2C(=C1C(=O)[C@]3([C@H]([C@@H](C(=O)C(=C3O)C(=O)N)N(C)C)C)O)O)O)CN4CC[C@@H](C4)F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):