Geometry & MOs

Info

ID:	131026
PubChem CID:	51147209
Reduced:	N2S2O3C16H24 (1)
Stoich.:	A2B2C3D16E24 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	-99.67
Dipole, Da:	6.56
IP(EA), eV:	-8.76(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C(CCSC)NS(=O)(=O)/C=C/C1=CC=CC=C1

DOS

IR

Vibrations