Geometry & MOs

Info

ID:	176124
PubChem CID:	75999329
Reduced:	SO2N7H21C22 (1)
Stoich.:	AB2C7D21E22 (1)
Weight, g/mol:	463.092595
ΔH_f, kcal/mol:	101.48
Dipole, Da:	4.9
IP(EA), eV:	-8.92(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(3-ethyloxadiazol-3-ium-5-yl)ethanimidate

Drug info:

PubChemData

Smile

CC[N+]1=NOC(=C1)N=C(CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)C(C)C)C#N)[O-]

DOS

IR

Vibrations