Geometry & MOs

Info

ID:	32813
PubChem CID:	7848604
Reduced:	FSN2O5C20H25 (1)
Stoich.:	ABC2D5E20F25 (1)
Weight, g/mol:	398.093643
ΔH_f, kcal/mol:	-225.67
Dipole, Da:	10.15
IP(EA), eV:	-8.81(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations