Geometry & MOs

Info

ID:	372912
PubChem CID:	131306978
Reduced:	BrOSF2H9C11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	305.95256
ΔH_f, kcal/mol:	-115.85
Dipole, Da:	4.72
IP(EA), eV:	-8.93(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-7-(difluoromethyl)-2-methoxy-1-benzothiophene

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1CBr)C(=CS2)OC(F)F

DOS

IR

Vibrations