Geometry & MOs

Info

ID:	407064
PubChem CID:	135079228
Reduced:	NC18H31 (1)
Stoich.:	AB18C31 (1)
Weight, g/mol:	369.139865
ΔH_f, kcal/mol:	1.58
Dipole, Da:	1.26
IP(EA), eV:	-8.48(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-but-2-ynyl-N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(=C)CC(CC(=C)C)(C1CCCCC1)NCC=C

DOS

IR

Vibrations