Geometry & MOs

Info

ID:	46890
PubChem CID:	10528162
Reduced:	NO6C27H31 (1)
Stoich.:	AB6C27D31 (1)
Weight, g/mol:	465.194008
ΔH_f, kcal/mol:	-184.26
Dipole, Da:	6.29
IP(EA), eV:	-8.88(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2-benzoylanilino)-3-[4-[(3-methylphenyl)methoxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@@]1(C[C@@H]2[C@H]3CC[C@@]2(C4=CC(=C(C=C4C3)OC)OC)N(C1=O)CC5=CC=CC=C5)O

DOS

IR

Vibrations