Geometry & MOs

Info

ID:	307665
PubChem CID:	125307953
Reduced:	NO9C25H27 (1)
Stoich.:	AB9C25D27 (1)
Weight, g/mol:	485.168581
ΔH_f, kcal/mol:	-328.67
Dipole, Da:	4.32
IP(EA), eV:	-8.86(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,10S)-10-[(3S,4R,5S,6R)-4-amino-5-hydroxy-6-methyloxan-3-yl]oxy-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione

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]1[C@@H]([C@H]([C@@H](CO1)O[C@H]2C[C@H](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)O)N)O

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]1[C@@H]([C@H]([C@@H](CO1)O[C@H]2C[C@H](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)O)N)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):