Geometry & MOs

Info

ID:	89863
PubChem CID:	49965077
Reduced:	SCl2O2N5H13C22 (1)
Stoich.:	AB2C2D5E13F22 (1)
Weight, g/mol:	382.067051
ΔH_f, kcal/mol:	41.55
Dipole, Da:	12.23
IP(EA), eV:	-9.02(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=NC3=C(S2)C4=C(C(C(=C(O4)N)C#N)C5=C(C=C(C=C5)Cl)Cl)C(=O)N3

DOS

IR

Vibrations