Geometry & MOs

Info

ID:	284539
PubChem CID:	104051640
Reduced:	Br2O2H16C17 (1)
Stoich.:	A2B2C16D17 (1)
Weight, g/mol:	357.94299
ΔH_f, kcal/mol:	-42.68
Dipole, Da:	3.39
IP(EA), eV:	-9.03(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methoxy-3,6-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)C(=O)C2=C(C(=CC(=C2C)Br)C)OC

DOS

IR

Vibrations