Geometry & MOs

Info

ID:	405157
PubChem CID:	135072794
Reduced:	OC9H13 (2)
Stoich.:	AB9C13 (2)
Weight, g/mol:	313.11365
ΔH_f, kcal/mol:	-46.77
Dipole, Da:	3.13
IP(EA), eV:	-9.29(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE)-N-(2,3-dihydroinden-1-ylidene)-2,4,6-trimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

C[C@@]1([C@@H]([C@@H]1COC)CC=C)CCOCC2=CC=CC=C2

DOS

IR

Vibrations