Geometry & MOs

Info

ID:	59701
PubChem CID:	24894277
Reduced:	NO2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	399.076299
ΔH_f, kcal/mol:	-145.37
Dipole, Da:	2.76
IP(EA), eV:	-9.54(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-8-fluoro-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C1=C(N=CC=C1)NC(=O)C(C)(C)C

DOS

IR

Vibrations