Geometry & MOs

Info

ID:	46835
PubChem CID:	10527747
Reduced:	NO6C26H33 (1)
Stoich.:	AB6C26D33 (1)
Weight, g/mol:	455.209658
ΔH_f, kcal/mol:	-255.8
Dipole, Da:	4.86
IP(EA), eV:	-9.68(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2-benzoylcyclohexen-1-yl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC[C@@H]1[C@@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]2C(=O)N1C(=O)OCC4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations