Geometry & MOs

Info

ID:	437593
PubChem CID:	135226640
Reduced:	BrOSH9C14 (1)
Stoich.:	ABCD9E14 (1)
Weight, g/mol:	387.85913
ΔH_f, kcal/mol:	10.96
Dipole, Da:	4.44
IP(EA), eV:	-8.86(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-bromo-2-(4-bromophenyl)sulfanylphenyl] formate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)C3=C(S2)C=CC(=C3)Br

DOS

IR

Vibrations