Geometry & MOs

Info

ID:	328549
PubChem CID:	126724446
Reduced:	NO6C22H23 (1)
Stoich.:	AB6C22D23 (1)
Weight, g/mol:	439.235873
ΔH_f, kcal/mol:	-187.2
Dipole, Da:	7.73
IP(EA), eV:	-9.36(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[[(4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]heptanoic acid

Drug info:

PubChemData

Smile

C[C@H](CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)[C@@H]3[C@@H](O3)C(=O)O)C(=O)O

DOS

IR

Vibrations