Geometry & MOs

Info

ID:	32803
PubChem CID:	7848539
Reduced:	FNSO4H16C19 (1)
Stoich.:	ABCD4E16F19 (1)
Weight, g/mol:	408.114378
ΔH_f, kcal/mol:	-148.2
Dipole, Da:	6.0
IP(EA), eV:	-9.55(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=CC=C(C=C1)F)OC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

DOS

IR

Vibrations