Geometry & MOs

Info

ID:	230681
PubChem CID:	87571649
Reduced:	N2O4C23H38 (1)
Stoich.:	A2B4C23D38 (1)
Weight, g/mol:	892.556145
ΔH_f, kcal/mol:	-182.5
Dipole, Da:	1.74
IP(EA), eV:	-9.37(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[(3E,8R,9R,10R,13S,14S)-3-(2-aminoethoxyimino)-6-hydroxy-4,4,10,13-tetramethyl-17-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-5-yl] (E)-but-2-enedioate

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@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@@H]([C@@]4([C@@]3(CC/C(=N\OCCN)/C4(C)C)C)O)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@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@@H]([C@@]4([C@@]3(CC/C(=N\OCCN)/C4(C)C)C)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):