Geometry & MOs

Info

ID:	31208
PubChem CID:	855182
Reduced:	ON3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	349.103103
ΔH_f, kcal/mol:	9.82
Dipole, Da:	1.96
IP(EA), eV:	-8.32(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCC1=NC2=C(C=C(C=C2)N)C(=O)N1CC3=CC=CC=C3

DOS

IR

Vibrations