Geometry & MOs

Info

ID:	32814
PubChem CID:	7848605
Reduced:	SN2O5H18C20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	384.114378
ΔH_f, kcal/mol:	-145.21
Dipole, Da:	6.86
IP(EA), eV:	-9.16(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

DOS

IR

Vibrations