Geometry & MOs

Info

ID:	393573
PubChem CID:	135021058
Reduced:	NO2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	405.17625
ΔH_f, kcal/mol:	-151.38
Dipole, Da:	2.75
IP(EA), eV:	-8.45(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[2-(cyclohexen-1-yl)ethynyl]phenyl]but-2-enyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CCOC(=O)NC[C@@H](CO)O

DOS

IR

Vibrations