Geometry & MOs

Info

ID:	208750
PubChem CID:	80576454
Reduced:	NC8H12 (2)
Stoich.:	AB8C12 (2)
Weight, g/mol:	292.055149
ΔH_f, kcal/mol:	2.64
Dipole, Da:	2.7
IP(EA), eV:	-8.17(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-thiazol-4-yl]acetic acid

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCC2CNC3=CC=CC=C23

DOS

IR

Vibrations