Geometry & MOs

Info

ID:	172288
PubChem CID:	75490235
Reduced:	ClOSN4C16H17 (1)
Stoich.:	ABCD4E16F17 (1)
Weight, g/mol:	389.119798
ΔH_f, kcal/mol:	29.0
Dipole, Da:	2.87
IP(EA), eV:	-9.0(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)-N-(2-phenylethyl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=C(N=C(S1)Cl)C(=O)NCC2=NC3=CC=CC=C3N2C

DOS

IR

Vibrations