Geometry & MOs

Info

ID:	77120
PubChem CID:	48425825
Reduced:	BrN2O4C18H27 (1)
Stoich.:	AB2C4D18E27 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	-170.46
Dipole, Da:	3.52
IP(EA), eV:	-8.49(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CC1=CC(=C(C=C1Br)OCC)OCC

DOS

IR

Vibrations