Geometry & MOs

Info

ID:	305373
PubChem CID:	124772373
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	407.133734
ΔH_f, kcal/mol:	-70.91
Dipole, Da:	5.78
IP(EA), eV:	-8.78(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3aR,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]-N-[(1S,2R)-2-methylcyclohexyl]benzamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CO1)[C@@H]2CCCC[C@H]2NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations