Geometry & MOs

Info

ID:	32840
PubChem CID:	7848843
Reduced:	SN3O4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	327.092915
ΔH_f, kcal/mol:	-108.84
Dipole, Da:	3.86
IP(EA), eV:	-9.3(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylphenyl)methyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Drug info:

PubChemData

Smile

CN(C(=O)COC(=O)C1=CC2=C(C=C1)SCCC(=O)N2)C3(CCCCC3)C#N

DOS

IR

Vibrations