Geometry & MOs

Info

ID:	32838
PubChem CID:	7848835
Reduced:	ClNS2O4H12C16 (1)
Stoich.:	ABC2D4E12F16 (1)
Weight, g/mol:	359.064986
ΔH_f, kcal/mol:	-100.29
Dipole, Da:	2.19
IP(EA), eV:	-8.89(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylsulfanylphenyl)methyl 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(S3)Cl)NC1=O

DOS

IR

Vibrations