Geometry & MOs

Info

ID:	352174
PubChem CID:	127283242
Reduced:	S2N3O3C17H27 (1)
Stoich.:	A2B3C3D17E27 (1)
Weight, g/mol:	374.070321
ΔH_f, kcal/mol:	-116.45
Dipole, Da:	7.4
IP(EA), eV:	-9.27(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(CNC(=O)N2CCS(=O)(=O)CC2)C3=CC=CS3

DOS

IR

Vibrations