Geometry & MOs

Info

ID:	32830
PubChem CID:	7848758
Reduced:	FNSO5C20H22 (1)
Stoich.:	ABCD5E20F22 (1)
Weight, g/mol:	384.114378
ΔH_f, kcal/mol:	-213.51
Dipole, Da:	3.41
IP(EA), eV:	-9.48(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-phenylethylamino)ethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)[C@@H](C)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F)C

DOS

IR

Vibrations