Geometry & MOs

Info

ID:	62410
PubChem CID:	26719688
Reduced:	Cl2N2S2O4H16C19 (1)
Stoich.:	A2B2C2D4E16F19 (1)
Weight, g/mol:	335.034065
ΔH_f, kcal/mol:	-86.55
Dipole, Da:	7.49
IP(EA), eV:	-9.01(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)Cl)Cl)S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations