Geometry & MOs

Info

ID:	137537
PubChem CID:	52222899
Reduced:	ClSN2O3C13H17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	351.125277
ΔH_f, kcal/mol:	-107.45
Dipole, Da:	4.93
IP(EA), eV:	-9.38(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-2-oxoazepan-3-yl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N[C@H]2CCCCNC2=O)Cl

DOS

IR

Vibrations