Geometry & MOs

Info

ID:	302351
PubChem CID:	124361365
Reduced:	NO7H23C24 (1)
Stoich.:	AB7C23D24 (1)
Weight, g/mol:	386.209324
ΔH_f, kcal/mol:	-194.51
Dipole, Da:	5.51
IP(EA), eV:	-8.48(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8R,9S,13R,14S)-17-acetyloxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=C(O1)C3=C(C=C2)OCN(C3)[C@H](C)C(=O)OC)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations