Geometry & MOs

Info

ID:	176179
PubChem CID:	76005657
Reduced:	FN3O5C23H24 (1)
Stoich.:	AB3C5D23E24 (1)
Weight, g/mol:	442.271924
ΔH_f, kcal/mol:	-179.83
Dipole, Da:	8.31
IP(EA), eV:	-9.12(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3-acetyloxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15-decahydrocyclopenta[a]phenanthren-17-yl)pentanoate

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)C(C2=CC(=NC3=C2C=CC=C3OC)C(=O)NC4CCOCC4O)F

DOS

IR

Vibrations