Geometry & MOs

Info

ID:	227989
PubChem CID:	87563187
Reduced:	N2O4F6H16C21 (1)
Stoich.:	A2B4C6D16E21 (1)
Weight, g/mol:	346.924441
ΔH_f, kcal/mol:	-330.93
Dipole, Da:	7.96
IP(EA), eV:	-9.9(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2,3-dichlorophenyl)sulfanyl-4-nitrothiophen-2-yl]acetaldehyde

Drug info:

PubChemData

Smile

C1CC1C[C@H](C2=CC(=C(C(=C2)OCC(F)(F)F)C3=CC4=NON=C4C=C3)C(F)(F)F)C(=O)O

DOS

IR

Vibrations