Geometry & MOs

Info

ID:	227925
PubChem CID:	87563038
Reduced:	PS2N3O6C31H40 (1)
Stoich.:	AB2C3D6E31F40 (1)
Weight, g/mol:	204.960042
ΔH_f, kcal/mol:	-179.35
Dipole, Da:	7.47
IP(EA), eV:	-9.24(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-4-nitrothiophen-2-yl)acetaldehyde

Drug info:

PubChemData

Smile

CC(=O)NC(C(=O)NCCCCCP(C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)OS(=O)(=O)C)C(C)(C)SN=O

DOS

IR

Vibrations