Geometry & MOs

Info

ID:	1800
PubChem CID:	5069
Reduced:	Cl2O3N6H20C21 (1)
Stoich.:	A2B3C6D20E21 (1)
Weight, g/mol:	474.097394
ΔH_f, kcal/mol:	-22.76
Dipole, Da:	6.41
IP(EA), eV:	-9.48(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2-aminoacetyl)amino]methyl]-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=NN(C(=N1)CNC(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations