Geometry & MOs

Info

ID:	150863
PubChem CID:	53790560
Reduced:	O9C22H22 (1)
Stoich.:	A9B22C22 (1)
Weight, g/mol:	503.194402
ΔH_f, kcal/mol:	-319.0
Dipole, Da:	6.25
IP(EA), eV:	-8.9(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(5S)-5-benzamido-4-oxo-6-phenylhexanoyl]oxy-3-phenylmethoxypropanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O)OC)O)O)O

DOS

IR

Vibrations