Geometry & MOs

Info

ID:	227926
PubChem CID:	87563039
Reduced:	ClNSO3H4C6 (1)
Stoich.:	ABCD3E4F6 (1)
Weight, g/mol:	555.182792
ΔH_f, kcal/mol:	-8.5
Dipole, Da:	7.25
IP(EA), eV:	-9.94(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-formamido-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]pentanamide

Drug info:

PubChemData

Smile

C1=C(SC(=C1[N+](=O)[O-])Cl)CC=O

DOS

IR

Vibrations