Geometry & MOs

Info

ID:	62535
PubChem CID:	26719844
Reduced:	O2N3S3H21C23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	411.107372
ΔH_f, kcal/mol:	-1.58
Dipole, Da:	2.6
IP(EA), eV:	-8.48(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=CC=C1)SC)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

DOS

IR

Vibrations