Geometry & MOs

Info

ID:	131970
PubChem CID:	51285269
Reduced:	SO2N3C22H29 (1)
Stoich.:	AB2C3D22E29 (1)
Weight, g/mol:	382.075406
ΔH_f, kcal/mol:	-44.19
Dipole, Da:	5.88
IP(EA), eV:	-8.53(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=CS1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)C

DOS

IR

Vibrations