Geometry & MOs

Info

ID:	228321
PubChem CID:	87563925
Reduced:	OCl3F3N6C23H28 (1)
Stoich.:	AB3C3D6E23F28 (1)
Weight, g/mol:	313.958662
ΔH_f, kcal/mol:	-198.46
Dipole, Da:	4.88
IP(EA), eV:	-9.25(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NCC(C1=CC=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=C4C=NNC4=NC=C3C(F)(F)F.Cl.Cl

DOS

IR

Vibrations