Geometry & MOs

Info

ID:	32811
PubChem CID:	7848602
Reduced:	FNSO4H14C18 (1)
Stoich.:	ABCD4E14F18 (1)
Weight, g/mol:	408.034684
ΔH_f, kcal/mol:	-150.35
Dipole, Da:	3.11
IP(EA), eV:	-8.85(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CSC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)F)NC1=O

DOS

IR

Vibrations