Geometry & MOs

Info

ID:	430222
PubChem CID:	135170286
Reduced:	NSH21C25 (1)
Stoich.:	ABC21D25 (1)
Weight, g/mol:	391.067843
ΔH_f, kcal/mol:	91.2
Dipole, Da:	2.91
IP(EA), eV:	-7.91(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(4-fluorophenyl)-10,10-dioxo-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2C3=C(C4=CC=CC=C4C3=C)NC5=CC=CC=C5S2)C

DOS

IR

Vibrations