Geometry & MOs

Info

ID:	129622
PubChem CID:	51073348
Reduced:	SN2O3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	344.148455
ΔH_f, kcal/mol:	-93.6
Dipole, Da:	5.84
IP(EA), eV:	-8.73(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]piperidine-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)CCCNC(=O)CSC1=CC=CC2=C1N=CC=C2

DOS

IR

Vibrations