Geometry & MOs

Info

ID:	380938
PubChem CID:	134971545
Reduced:	OC13H21 (2)
Stoich.:	AB13C21 (2)
Weight, g/mol:	386.318481
ΔH_f, kcal/mol:	-127.8
Dipole, Da:	2.35
IP(EA), eV:	-9.82(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC[C@H]2[C@]([C@@H]1CC/C(=C\C(=O)OC)/C)(CCC3[C@@]2(CCCC3(C)C)C)C

DOS

IR

Vibrations