Geometry & MOs

Info

ID:	237613
PubChem CID:	92720021
Reduced:	FSN2O4C27H27 (1)
Stoich.:	ABC2D4E27F27 (1)
Weight, g/mol:	494.167557
ΔH_f, kcal/mol:	-128.14
Dipole, Da:	7.87
IP(EA), eV:	-8.99(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11R)-5-[(2-fluorophenyl)methyl]-6,11-dioxo-N-(3-propan-2-yloxypropyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)OCCCNC(=O)C1=CC2=C(C=C1)[S@@](=O)C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4F

DOS

IR

Vibrations