Geometry & MOs

Info

ID:	227144
PubChem CID:	87560335
Reduced:	ClBr2N2O3H17C19 (1)
Stoich.:	AB2C2D3E17F19 (1)
Weight, g/mol:	411.03812
ΔH_f, kcal/mol:	-18.4
Dipole, Da:	7.34
IP(EA), eV:	-8.88(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxyphenyl)-4-morpholin-4-yl-3lambda4,9-dithia-2-azabicyclo[4.3.0]nona-1,3,5,7-tetraene-8-sulfonamide

Drug info:

PubChemData

Smile

CNC(=O)/C(=N\OC)/C1=CC=CC=C1COC2=CC(=C(C=C2)C=C(Br)Br)Cl

DOS

IR

Vibrations