Geometry & MOs

Info

ID:	287856
PubChem CID:	104296531
Reduced:	OSBr2H10C16 (1)
Stoich.:	ABC2D10E16 (1)
Weight, g/mol:	321.98407
ΔH_f, kcal/mol:	34.02
Dipole, Da:	1.91
IP(EA), eV:	-9.09(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(4-bromo-3-methylbenzoyl)furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)C2=CSC3=C2C=CC=C3Br)Br

DOS

IR

Vibrations