Geometry & MOs

Info

ID:	185341
PubChem CID:	77287801
Reduced:	S2O3N4C19H20 (1)
Stoich.:	A2B3C4D19E20 (1)
Weight, g/mol:	405.118084
ΔH_f, kcal/mol:	-40.65
Dipole, Da:	3.65
IP(EA), eV:	-8.65(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[(3,4-dimethylanilino)methyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(=O)N(C1CNC2=CC=CC=C2CC#N)CCSC3=NC(=CS3)C(=O)O

DOS

IR

Vibrations