Geometry & MOs

Info

ID:	157893
PubChem CID:	56458803
Reduced:	S2O3N4C21H22 (1)
Stoich.:	A2B3C4D21E22 (1)
Weight, g/mol:	481.149384
ΔH_f, kcal/mol:	-37.06
Dipole, Da:	3.74
IP(EA), eV:	-8.58(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-3-[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CSCN2C(=O)CCC3=NN=C(O3)C4=CSC=C4)C

DOS

IR

Vibrations