Geometry & MOs

Info

ID:	32837
PubChem CID:	7848815
Reduced:	FSN2O4C12H13 (1)
Stoich.:	ABC2D4E12F13 (1)
Weight, g/mol:	380.989628
ΔH_f, kcal/mol:	-157.73
Dipole, Da:	3.82
IP(EA), eV:	-9.98(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C#N)OC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)F

DOS

IR

Vibrations