Geometry & MOs

Info

ID:	221990
PubChem CID:	85293232
Reduced:	O5C27H38 (1)
Stoich.:	A5B27C38 (1)
Weight, g/mol:	442.271924
ΔH_f, kcal/mol:	-199.5
Dipole, Da:	4.72
IP(EA), eV:	-9.62(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-acetyloxy-17-but-3-en-2-yl-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate

Drug info:

PubChemData

Smile

CC12CCCC(C1CCC3(C2CCC4(C3C(C5C4(O5)C6=COC=C6)O)C)C)(C)C(=O)OC

DOS

IR

Vibrations