Geometry & MOs

Info

ID:	159693
PubChem CID:	57288635
Reduced:	ON2C14H22 (1)
Stoich.:	AB2C14D22 (1)
Weight, g/mol:	376.26136
ΔH_f, kcal/mol:	-33.87
Dipole, Da:	4.11
IP(EA), eV:	-8.69(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(8R,9R,10S,13S,14S)-17-hydroxy-1,10,13-trimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](CN2CCC(C2)O)NC

DOS

IR

Vibrations