Geometry & MOs

Info

ID:	161977
PubChem CID:	57393218
Reduced:	SCl3N4O4C25H25 (1)
Stoich.:	AB3C4D4E25F25 (1)
Weight, g/mol:	413.92892
ΔH_f, kcal/mol:	-96.32
Dipole, Da:	3.41
IP(EA), eV:	-8.94(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(Z)-2-(3,5-dibromo-4-methoxyphenyl)ethenyl]-2-methoxyphenol

Drug info:

PubChemData

Smile

C1CCN(CC1)CCNC(=O)C2=CC(=CC=C2)OC3=C(C=C(C=N3)Cl)NS(=O)(=O)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations