Geometry & MOs

Info

ID:	32790
PubChem CID:	7848458
Reduced:	ClNSO5H16C19 (1)
Stoich.:	ABCD5E16F19 (1)
Weight, g/mol:	294.067428
ΔH_f, kcal/mol:	-168.13
Dipole, Da:	2.43
IP(EA), eV:	-9.16(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CSC2=C(C=C(C=C2)C(=O)OCC3=CC(=CC4=C3OCOC4)Cl)NC1=O

DOS

IR

Vibrations