Geometry & MOs

Info

ID:	370957
PubChem CID:	127341561
Reduced:	SO2N6C14H20 (1)
Stoich.:	AB2C6D14E20 (1)
Weight, g/mol:	372.081364
ΔH_f, kcal/mol:	43.51
Dipole, Da:	10.17
IP(EA), eV:	-9.95(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-[(1,1-dioxo-1,4-thiazepan-4-yl)sulfonyl]benzamide

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=CC=CC=C2)NS(=O)(=O)N(C)CC3CC3

DOS

IR

Vibrations