Geometry & MOs

Info

ID:	380895
PubChem CID:	134971488
Reduced:	NS2O4C11H19 (1)
Stoich.:	AB2C4D11E19 (1)
Weight, g/mol:	386.318481
ΔH_f, kcal/mol:	-186.45
Dipole, Da:	2.89
IP(EA), eV:	-8.41(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-5-[(1S,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

CC(=O)N1C[C@H]([C@H]([C@@H]([C@H]1C2SCCCS2)O)O)O

DOS

IR

Vibrations