Geometry & MOs

Info

ID:	185326
PubChem CID:	77286770
Reduced:	N2O3C31H34 (1)
Stoich.:	A2B3C31D34 (1)
Weight, g/mol:	383.133734
ΔH_f, kcal/mol:	-60.74
Dipole, Da:	5.04
IP(EA), eV:	-9.51(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC(=O)N(CC1=CC(=C(C=C1)C2=CC=CC=C2)C#N)C(C(C)C)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations