Geometry & MOs

Info

ID:	176973
PubChem CID:	76119918
Reduced:	SO5C16H26 (1)
Stoich.:	AB5C16D26 (1)
Weight, g/mol:	300.111007
ΔH_f, kcal/mol:	-207.42
Dipole, Da:	3.93
IP(EA), eV:	-8.76(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-aminobenzoyl)amino]-3-(4-hydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1CC2C(C(C1O2)CC=CCCCC(=O)O)CS(=O)CCO

DOS

IR

Vibrations