Geometry & MOs

Info

ID:	406410
PubChem CID:	135077520
Reduced:	ClNSO5C17H24 (1)
Stoich.:	ABCD5E17F24 (1)
Weight, g/mol:	321.139865
ΔH_f, kcal/mol:	-192.18
Dipole, Da:	4.03
IP(EA), eV:	-8.89(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-[(3aR,4S,7aS)-4-methyl-2,3,3a,4,5,6,7,7a-octahydroinden-1-ylidene]amino] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1CCOC(C1)OC[C@H](C[S@@](=O)CCl)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations