Geometry & MOs

Info

ID:	328526
PubChem CID:	126724182
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	424.199822
ΔH_f, kcal/mol:	-67.17
Dipole, Da:	5.78
IP(EA), eV:	-9.12(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C3=NC=CN3)C(=O)O

DOS

IR

Vibrations