Geometry & MOs

Info

ID:	56517
PubChem CID:	17436016
Reduced:	SO2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	387.172896
ΔH_f, kcal/mol:	-56.44
Dipole, Da:	5.71
IP(EA), eV:	-8.68(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CCC2=C(NC(=NC2=O)SC)C

DOS

IR

Vibrations