Geometry & MOs

Info

ID:	139937
PubChem CID:	52620045
Reduced:	SBr2O2N3C15H15 (1)
Stoich.:	AB2C2D3E15F15 (1)
Weight, g/mol:	440.196074
ΔH_f, kcal/mol:	-30.28
Dipole, Da:	6.74
IP(EA), eV:	-8.88(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-diphenyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC1=CC=CC=C1NC(=O)C2=CC(=C(S2)Br)Br

DOS

IR

Vibrations