Geometry & MOs

Info

ID:	122469
PubChem CID:	50807842
Reduced:	FO2N3C27H34 (1)
Stoich.:	AB2C3D27E34 (1)
Weight, g/mol:	405.114713
ΔH_f, kcal/mol:	-89.29
Dipole, Da:	5.59
IP(EA), eV:	-8.27(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2-methoxyethyl)-6-oxobenzo[b][1,4]benzothiazepin-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCOCCCNC(=O)C1CCN(CC1)CC2=CC3=CC=CC=C3N2CC4=CC=C(C=C4)F

DOS

IR

Vibrations