Geometry & MOs

Info

ID:	62573
PubChem CID:	26719886
Reduced:	NO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	442.103494
ΔH_f, kcal/mol:	-39.5
Dipole, Da:	4.22
IP(EA), eV:	-8.38(-0.34)
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-(3-sulfamoylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(OC(=C1C(=O)NC2=CC3=CC=CC=C3C=C2)C)C

DOS

IR

Vibrations