Geometry & MOs

Info

ID:	133671
PubChem CID:	51572178
Reduced:	ClSN3O4C22H22 (1)
Stoich.:	ABC3D4E22F22 (1)
Weight, g/mol:	384.114378
ΔH_f, kcal/mol:	-87.52
Dipole, Da:	1.05
IP(EA), eV:	-8.9(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylsulfanylphenyl)-2-oxoethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCC(=O)NNC(=O)C2=C(N=C(S2)COC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations