Geometry & MOs

Info

ID:	50780
PubChem CID:	12013368
Reduced:	SN2O2C22H30 (1)
Stoich.:	AB2C2D22E30 (1)
Weight, g/mol:	430.192629
ΔH_f, kcal/mol:	-95.04
Dipole, Da:	1.47
IP(EA), eV:	-9.22(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-oxo-6,7,8,8a-tetrahydro-5H-benzo[b][1,4]thiazine-4a-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C23CCCCC2SCC(=O)N3CC4=CC=CC=C4

DOS

IR

Vibrations