Geometry & MOs

Info

ID:	219091
PubChem CID:	85090477
Reduced:	N4O5C31H42 (1)
Stoich.:	A4B5C31D42 (1)
Weight, g/mol:	549.76407
ΔH_f, kcal/mol:	-199.55
Dipole, Da:	4.6
IP(EA), eV:	-8.32(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromo-4-hydroxyphenyl)-3-chloro-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]furan-2-one

Drug info:

PubChemData

Smile

CCC(C(=O)C(=O)NCCCN1CCCC2=CC=CC=C21)NC(=O)C(CC(C)C)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations