Geometry & MOs

Info

ID:	228015
PubChem CID:	87563230
Reduced:	O3N4H16C19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	317.012471
ΔH_f, kcal/mol:	-7.66
Dipole, Da:	8.67
IP(EA), eV:	-8.79(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-(2-chlorophenyl)sulfonylcarbonylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(=O)NCC(=O)NN/C=C\3/C=CN=CC3=O

DOS

IR

Vibrations