Geometry & MOs

Info

ID:	380920
PubChem CID:	134971519
Reduced:	OC20H34 (1)
Stoich.:	AB20C34 (1)
Weight, g/mol:	402.313395
ΔH_f, kcal/mol:	-100.07
Dipole, Da:	2.13
IP(EA), eV:	-9.05(1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(1R,4aR,4bS,10aS)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]methyl]-3-oxobutanoate

Drug info:

PubChemData

Smile

CC1=CC[C@H]2[C@]([C@@H]1CO)(CCC3[C@@]2(CCCC3(C)C)C)C

DOS

IR

Vibrations