Geometry & MOs

Info

ID:	218307
PubChem CID:	85089153
Reduced:	O5C27H42 (1)
Stoich.:	A5B27C42 (1)
Weight, g/mol:	446.303224
ΔH_f, kcal/mol:	-265.38
Dipole, Da:	2.3
IP(EA), eV:	-9.83(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-acetyloxy-10-(hydroxymethyl)-13-methyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CC(=O)C3=C2C(=O)C(C4(C3(CCC(C4)O)C)O)O)C

DOS

IR

Vibrations