Geometry & MOs

Info

ID:	208473
PubChem CID:	80533262
Reduced:	ClSBr2H11C14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	385.89293
ΔH_f, kcal/mol:	67.23
Dipole, Da:	2.16
IP(EA), eV:	-9.41(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-[bromo(cycloheptyl)methyl]-3-chlorothiophene

Drug info:

PubChemData

Smile

C1CC1(C2=CC=CC=C2)C(C3=CC(=C(S3)Br)Cl)Br

DOS

IR

Vibrations