Geometry & MOs

Info

ID:	191368
PubChem CID:	78138461
Reduced:	NSO4C18H19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	373.098394
ΔH_f, kcal/mol:	-109.76
Dipole, Da:	4.94
IP(EA), eV:	-9.26(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(benzenesulfonyl)-1-benzoylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CC(CN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations