Geometry & MOs

Info

ID:	352234
PubChem CID:	127283316
Reduced:	SN2O5C17H24 (1)
Stoich.:	AB2C5D17E24 (1)
Weight, g/mol:	331.156577
ΔH_f, kcal/mol:	-195.49
Dipole, Da:	7.17
IP(EA), eV:	-8.96(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-yl)-3-oxopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)N1CCS(=O)(=O)CC1)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations