Geometry & MOs

Info

ID:	56406
PubChem CID:	17425344
Reduced:	ClOSN4C22H29 (1)
Stoich.:	ABCD4E22F29 (1)
Weight, g/mol:	286.088832
ΔH_f, kcal/mol:	-12.18
Dipole, Da:	7.49
IP(EA), eV:	-8.78(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)CSC2=NN=C(N2C3CCCC3)C4=CC=CC=C4Cl)C

DOS

IR

Vibrations