Geometry & MOs

Info

ID:	290443
PubChem CID:	104523495
Reduced:	ClNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	311.166748
ΔH_f, kcal/mol:	-65.78
Dipole, Da:	2.19
IP(EA), eV:	-9.52(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[2-[cyclopentyl(3-methylbutyl)amino]-1,3-thiazol-4-yl]acetic acid

Drug info:

PubChemData

Smile

CC1(CC(=O)NC2=C(O1)C(=CC=C2)Cl)C

DOS

IR

Vibrations