Geometry & MOs

Info

ID:	55923
PubChem CID:	17397464
Reduced:	OSN3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	354.151433
ΔH_f, kcal/mol:	-13.51
Dipole, Da:	5.99
IP(EA), eV:	-8.64(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyano-1-cyclopropylethyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1C)SC(C)C(=O)N2CCC3=CC=CC=C3C2)C

DOS

IR

Vibrations