Geometry & MOs

Info

ID:	202102
PubChem CID:	79629327
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	239.098
ΔH_f, kcal/mol:	-94.34
Dipole, Da:	2.62
IP(EA), eV:	-8.43(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-amino-2-methylphenyl)sulfanyl-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NCC(C)(C)C(=O)O)Cl

DOS

IR

Vibrations