Geometry & MOs

Info

ID:	32823
PubChem CID:	7848691
Reduced:	FNSO7H16C18 (1)
Stoich.:	ABCD7E16F18 (1)
Weight, g/mol:	398.130028
ΔH_f, kcal/mol:	-251.29
Dipole, Da:	6.34
IP(EA), eV:	-8.86(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC(=O)OCC(=O)C1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations