Geometry & MOs

Info

ID:	185332
PubChem CID:	77287617
Reduced:	Cl2N2O3H12C13 (1)
Stoich.:	A2B2C3D12E13 (1)
Weight, g/mol:	419.133734
ΔH_f, kcal/mol:	-77.02
Dipole, Da:	4.28
IP(EA), eV:	-9.66(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=C)C2C(=NC1=O)C=CC(=C2Cl)Cl

DOS

IR

Vibrations