Geometry & MOs

Info

ID:	374416
PubChem CID:	131328815
Reduced:	ClNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	331.90041
ΔH_f, kcal/mol:	-79.84
Dipole, Da:	4.89
IP(EA), eV:	-9.02(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-formyl-4-iodo-1-benzothiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C2CC[C@@](C2=C(C=C1)Cl)(CO)N

DOS

IR

Vibrations