Geometry & MOs

Info

ID:	143298
PubChem CID:	53181919
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	353.119798
ΔH_f, kcal/mol:	-26.02
Dipole, Da:	5.6
IP(EA), eV:	-9.69(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-oxo-6-propan-2-ylpyrido[2,3-b][1,5]benzothiazepin-9-yl)cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2(CCCCC2)C3=NC(=NO3)C

DOS

IR

Vibrations