Geometry & MOs

Info

ID:	328536
PubChem CID:	126724300
Reduced:	NO9C26H29 (1)
Stoich.:	AB9C26D29 (1)
Weight, g/mol:	438.215472
ΔH_f, kcal/mol:	-365.78
Dipole, Da:	11.54
IP(EA), eV:	-9.23(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations