Geometry & MOs

Info

ID:	157315
PubChem CID:	56422871
Reduced:	SN2O4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	452.140593
ΔH_f, kcal/mol:	-57.5
Dipole, Da:	1.86
IP(EA), eV:	-8.68(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CSC2=CC=CC=C2C(=O)NCC3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations