Geometry & MOs

Info

ID:	55622
PubChem CID:	17395686
Reduced:	SN3O5C26H31 (1)
Stoich.:	AB3C5D26E31 (1)
Weight, g/mol:	426.077806
ΔH_f, kcal/mol:	-201.63
Dipole, Da:	1.86
IP(EA), eV:	-9.48(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCN1C(=O)CSC1=O)OC(=O)C2=C3CC(CCC3=NC4=CC=CC=C42)C(C)(C)C

DOS

IR

Vibrations