Geometry & MOs

Info

ID:	64161
PubChem CID:	29197114
Reduced:	SN3O3C20H26 (1)
Stoich.:	AB3C3D20E26 (1)
Weight, g/mol:	445.178376
ΔH_f, kcal/mol:	-62.06
Dipole, Da:	5.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.161132
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-3-[(pyridine-2-carbonylamino)carbamoyl]-4-pyrrolidin-1-ylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)S(=O)(=O)NC[C@H](C2=CNC3=CC=CC=C32)[NH+](C)C

DOS

IR

Vibrations