Geometry & MOs

Info

ID:	226015
PubChem CID:	87246611
Reduced:	FSN4O5H23C27 (1)
Stoich.:	ABC4D5E23F27 (1)
Weight, g/mol:	372.277678
ΔH_f, kcal/mol:	-110.69
Dipole, Da:	4.46
IP(EA), eV:	-9.01(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-10,13-dimethyl-3-[3-(methylamino)propoxyimino]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)OC3=CC(=NC=C3)C4=CSC(=C4)C(=O)N(C)OC(=O)C

DOS

IR

Vibrations