Geometry & MOs

Info

ID:	185334
PubChem CID:	77287669
Reduced:	NOSC6H7 (3)
Stoich.:	ABCD6E7 (3)
Weight, g/mol:	397.058855
ΔH_f, kcal/mol:	-67.27
Dipole, Da:	4.79
IP(EA), eV:	-8.59(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)NCC2CCC(=O)N2CCSC3=NC(=CS3)C(=O)O

DOS

IR

Vibrations