Geometry & MOs

Info

ID:	343336
PubChem CID:	127266509
Reduced:	SO2N4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	348.195011
ΔH_f, kcal/mol:	-7.92
Dipole, Da:	1.89
IP(EA), eV:	-8.77(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-(dimethylamino)but-2-enamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1CCCNS(=O)(=O)CCCC#N)C2=CC=CC=C2

DOS

IR

Vibrations