Geometry & MOs

Info

ID:	46110
PubChem CID:	10522008
Reduced:	NSO6C16H19 (1)
Stoich.:	ABC6D16E19 (1)
Weight, g/mol:	353.162708
ΔH_f, kcal/mol:	-231.39
Dipole, Da:	5.12
IP(EA), eV:	-10.25(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4R)-3-(carboxymethyl)-4-[1-(3-phenylphenyl)ethyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]([C@@H](OC2=O)CC=C)CC(=O)OC

DOS

IR

Vibrations