Geometry & MOs

Info

ID:	409304
PubChem CID:	135082084
Reduced:	OS2C7H14 (1)
Stoich.:	AB2C7D14 (1)
Weight, g/mol:	269.94427
ΔH_f, kcal/mol:	-66.27
Dipole, Da:	4.21
IP(EA), eV:	-8.63(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzothiophene;carbon monoxide;chromium

Drug info:

PubChemData

Smile

CC1CC(SC(S1)CO)C

DOS

IR

Vibrations