Geometry & MOs

Info

ID:	194543
PubChem CID:	78552948
Reduced:	SN2O2C20H24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	388.089306
ΔH_f, kcal/mol:	-68.58
Dipole, Da:	6.09
IP(EA), eV:	-8.85(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations