Geometry & MOs

Info

ID:	135461
PubChem CID:	51874187
Reduced:	ClSN2O4C21H27 (1)
Stoich.:	ABC2D4E21F27 (1)
Weight, g/mol:	472.052752
ΔH_f, kcal/mol:	-180.62
Dipole, Da:	1.45
IP(EA), eV:	-9.41(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(2-ethoxyphenyl)-2-phenylacetamide

Drug info:

PubChemData

Smile

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCC(=O)N(C)CC4=CC=C(S4)Cl

DOS

IR

Vibrations