Geometry & MOs

Info

ID:	363031
PubChem CID:	127310056
Reduced:	ClO2N4C20H25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	334.138485
ΔH_f, kcal/mol:	1.98
Dipole, Da:	3.0
IP(EA), eV:	-9.12(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-ethylsulfanylazepan-1-yl)ethanone

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3(CC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations