Geometry & MOs

Info

ID:	32757
PubChem CID:	7848055
Reduced:	ClNO5C20H26 (1)
Stoich.:	ABC5D20E26 (1)
Weight, g/mol:	412.076279
ΔH_f, kcal/mol:	-200.98
Dipole, Da:	5.66
IP(EA), eV:	-8.77(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Cl)/C=C/C(=O)OCC(=O)NC2CCCC2)OC

DOS

IR

Vibrations