Geometry & MOs

Info

ID:	218846
PubChem CID:	85090057
Reduced:	ISi2O4C19H41 (1)
Stoich.:	AB2C4D19E41 (1)
Weight, g/mol:	516.251189
ΔH_f, kcal/mol:	-322.22
Dipole, Da:	1.13
IP(EA), eV:	-8.79(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetyloxy-2-[3-(3-methoxyphenyl)prop-2-enoyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC(CC(=O)OC)C(CO[Si](C)(C)C(C)(C)C)I

DOS

IR

Vibrations