Geometry & MOs

Info

ID:	32801
PubChem CID:	7848536
Reduced:	SN2O4H16C20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	410.075885
ΔH_f, kcal/mol:	-72.96
Dipole, Da:	1.38
IP(EA), eV:	-8.85(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CSC2=C(C=C(C=C2)C(=O)OCC3=NC=C(O3)C4=CC=CC=C4)NC1=O

DOS

IR

Vibrations