Geometry & MOs

Info

ID:	228031
PubChem CID:	87563253
Reduced:	ClF2O2N3C14H18 (1)
Stoich.:	AB2C2D3E14F18 (1)
Weight, g/mol:	427.83601
ΔH_f, kcal/mol:	-189.06
Dipole, Da:	6.9
IP(EA), eV:	-10.21(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2,4-dichlorophenyl)sulfanyl-4-iodothiophen-2-yl]acetaldehyde

Drug info:

PubChemData

Smile

CC1(CCC2=C(C1)C(=NC(=N2)CN(CC(F)F)C(=O)O)Cl)C

DOS

IR

Vibrations