Geometry & MOs

Info

ID:

143994

PubChem CID:

53295887

Reduced:

SO3N5C16H18 (1)

Stoich.:

AB3C5D16E18 (1)

Weight, g/mol:

373.120861

ΔHf, kcal/mol:

13.81

Dipole, Da:

11.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.779947

Charge, e:

 0

Chem-info

IUPAC name:

(1Z)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]ethanimidate

Drug info:

PubChemData

Smile

COCC[N+]1=NOC(=C1)NC(=O)CSC2=C(C=C3CCCC3=N2)C#N

DOS

IR

Vibrations