Geometry & MOs

Info

ID:	32797
PubChem CID:	7848510
Reduced:	NCl2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	416.120607
ΔH_f, kcal/mol:	-63.02
Dipole, Da:	2.61
IP(EA), eV:	-8.95(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)COC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations