Geometry & MOs

Info

ID:	189028
PubChem CID:	77806381
Reduced:	O4C20H27 (2)
Stoich.:	A4B20C27 (2)
Weight, g/mol:	358.214409
ΔH_f, kcal/mol:	-340.86
Dipole, Da:	4.47
IP(EA), eV:	-9.01(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(13-ethyl-9-hydroxy-3-methoxy-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl)acetic acid

Drug info:

PubChemData

Smile

CCCCOC(=O)C1C(OC(O1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(CCC)C4CCC(CC4)CCCCCCOC(=O)C=C)C(=O)O

DOS

IR

Vibrations