Geometry & MOs

Info

ID:	178124
PubChem CID:	76281557
Reduced:	OSN5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	372.23006
ΔH_f, kcal/mol:	39.45
Dipole, Da:	5.38
IP(EA), eV:	-8.11(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(13S,17S)-3-hydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] butanoate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC3=NC=C(C=C3C=C2)C(=O)NC4=C(SC=C4)N

DOS

IR

Vibrations