Geometry & MOs

Info

ID:	190422
PubChem CID:	78003009
Reduced:	ClO2C25H29 (1)
Stoich.:	AB2C25D29 (1)
Weight, g/mol:	625.86395
ΔH_f, kcal/mol:	-69.48
Dipole, Da:	3.95
IP(EA), eV:	-8.94(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2,6-dibromophenyl)methylsulfonyl]-2-[(4-hydroxy-3-nitrophenyl)methylidene]-7H-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

C1CC(OC(C1)C2=C3CCCC3=C(C(=C2)CC4=CC=C(C=C4)C5CC5)Cl)CO

DOS

IR

Vibrations