Geometry & MOs

Info

ID:	158493
PubChem CID:	56464062
Reduced:	NSO6C18H19 (1)
Stoich.:	ABC6D18E19 (1)
Weight, g/mol:	445.130757
ΔH_f, kcal/mol:	-187.45
Dipole, Da:	8.78
IP(EA), eV:	-8.3(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-3-(2-oxopyrrolidin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/S(=O)(=O)NC2=C(C=C(C=C2OC)OC)C(=O)O

DOS

IR

Vibrations