Geometry & MOs

Info

ID:	391526
PubChem CID:	135006245
Reduced:	NO3H27C32 (1)
Stoich.:	AB3C27D32 (1)
Weight, g/mol:	282.103814
ΔH_f, kcal/mol:	-4.71
Dipole, Da:	2.21
IP(EA), eV:	-9.4(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=N[C@](C(=O)O2)(CC3=CC=CC=C3)[C@H](CC(=O)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations