Geometry & MOs

Info

ID:	62264
PubChem CID:	26718715
Reduced:	SN2O4C24H24 (1)
Stoich.:	AB2C4D24E24 (1)
Weight, g/mol:	442.103494
ΔH_f, kcal/mol:	-92.15
Dipole, Da:	3.72
IP(EA), eV:	-8.35(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-sulfamoylphenyl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CCNC(=O)CCC(=O)C3=CC=CS3

DOS

IR

Vibrations