Geometry & MOs

Info

ID:	208452
PubChem CID:	80531580
Reduced:	BrClOSH8C15 (1)
Stoich.:	ABCDE8F15 (1)
Weight, g/mol:	319.96373
ΔH_f, kcal/mol:	42.74
Dipole, Da:	2.73
IP(EA), eV:	-9.29(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CC(=C(S3)Br)Cl

DOS

IR

Vibrations