Geometry & MOs

Info

ID:	440903
PubChem CID:	135232119
Reduced:	O5C28H39 (2)
Stoich.:	A5B28C39 (2)
Weight, g/mol:	202.009993
ΔH_f, kcal/mol:	-375.34
Dipole, Da:	2.19
IP(EA), eV:	-8.57(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(fluoromethyl)-5-formylbenzenesulfinic acid

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C2=CC=C(C=C2)OCCCCCCOC3=CC(=C(C=C3C(=O)OCC4CO4)OCCCCCCOC5=CC=C(C=C5)C6CCC(CC6)CCC)C(=O)OCC7CO7

DOS

IR

Vibrations