Geometry & MOs

Info

ID:	56577
PubChem CID:	17436394
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	333.045109
ΔH_f, kcal/mol:	-108.19
Dipole, Da:	5.31
IP(EA), eV:	-9.24(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-methylphenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

DOS

IR

Vibrations