Geometry & MOs

Info

ID:	44453
PubChem CID:	10503629
Reduced:	SN2O5H20C24 (1)
Stoich.:	AB2C5D20E24 (1)
Weight, g/mol:	448.120526
ΔH_f, kcal/mol:	-120.77
Dipole, Da:	0.77
IP(EA), eV:	-9.08(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(1-oxidopyridin-1-ium-4-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC(=C(O2)C)C(C3=CC4=C(O3)C=CC(=C4)CC5C(=O)NC(=O)S5)O

DOS

IR

Vibrations