Geometry & MOs

Info

ID:	138682
PubChem CID:	52407609
Reduced:	SN3O4C16H23 (1)
Stoich.:	AB3C4D16E23 (1)
Weight, g/mol:	360.054466
ΔH_f, kcal/mol:	-162.46
Dipole, Da:	4.06
IP(EA), eV:	-9.27(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(S)-(3,4-dichlorophenyl)-phenylmethyl]-2-(1,2,4-triazol-1-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H](CN1CCCC1=O)NC(=O)CCNS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations