Geometry & MOs

Info

ID:	352701
PubChem CID:	127283790
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	358.075406
ΔH_f, kcal/mol:	1.04
Dipole, Da:	4.72
IP(EA), eV:	-8.47(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(1-oxo-1,4-thiazinan-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)CN3CCS(=O)CC3

DOS

IR

Vibrations