Geometry & MOs

Info

ID:	31760
PubChem CID:	3717999
Reduced:	ClSN2O2H15C16 (1)
Stoich.:	ABC2D2E15F16 (1)
Weight, g/mol:	485.97283
ΔH_f, kcal/mol:	-50.7
Dipole, Da:	5.02
IP(EA), eV:	-9.24(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4,6-difluorophenyl)-2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CSCC(=O)NC2=CC=C(C=C2)C(=O)N)Cl

DOS

IR

Vibrations