Geometry & MOs

Info

ID:	143251
PubChem CID:	53173143
Reduced:	FOSN4H17C20 (1)
Stoich.:	ABCD4E17F20 (1)
Weight, g/mol:	393.094726
ΔH_f, kcal/mol:	8.55
Dipole, Da:	6.84
IP(EA), eV:	-8.71(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-N-(3-fluorophenyl)-5-oxopyrido[2,3-b][1,5]benzothiazepine-9-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C2=C1N=CC=C2)C3=NC(=CS3)C(=O)NC4=C(C=C(C=C4)F)C

DOS

IR

Vibrations