Geometry & MOs

Info

ID:	38215
PubChem CID:	8028084
Reduced:	FO2N5H14C18 (1)
Stoich.:	AB2C5D14E18 (1)
Weight, g/mol:	410.113413
ΔH_f, kcal/mol:	7.46
Dipole, Da:	10.06
IP(EA), eV:	-9.3(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aS,6aR)-3-(4-fluorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-2-cyclohexylacetamide

Drug info:

PubChemData

Smile

C1[C@@H](N2C(=NC1=O)N=C(N2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations