Geometry & MOs

Info

ID:	243520
PubChem CID:	99225861
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	481.167142
ΔH_f, kcal/mol:	-73.3
Dipole, Da:	5.69
IP(EA), eV:	-8.56(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2S)-1-(N-methylanilino)propan-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](CN(C)C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C

DOS

IR

Vibrations