Geometry & MOs

Info

ID:	143996
PubChem CID:	53296037
Reduced:	SO5N6C18H21 (1)
Stoich.:	AB5C6D18E21 (1)
Weight, g/mol:	475.002114
ΔH_f, kcal/mol:	-107.55
Dipole, Da:	9.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766394
Charge, e:	0

Chem-info

IUPAC name:

4-[2-amino-3,5-dicyano-6-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylpyridin-4-yl]-3-methyloxadiazol-3-ium-5-olate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=[N+](NOC3=O)C)C

DOS

IR

Vibrations