Geometry & MOs

Info

ID:	55980
PubChem CID:	17398130
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	354.151433
ΔH_f, kcal/mol:	-152.47
Dipole, Da:	3.08
IP(EA), eV:	-9.44(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclohexyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(=O)N1)CC(=O)N2CCOCC2)C3=CC=C(C=C3)C

DOS

IR

Vibrations