Geometry & MOs

Info

ID:	427800
PubChem CID:	135163100
Reduced:	O5H24C30 (1)
Stoich.:	A5B24C30 (1)
Weight, g/mol:	280.105922
ΔH_f, kcal/mol:	-91.43
Dipole, Da:	4.65
IP(EA), eV:	-8.58(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(carboxymethylcarbamoylamino)-3-(3-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(=C)C(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations