Geometry & MOs

Info

ID:	228029
PubChem CID:	87563251
Reduced:	N2O5C31H46 (1)
Stoich.:	A2B5C31D46 (1)
Weight, g/mol:	384.925726
ΔH_f, kcal/mol:	-114.54
Dipole, Da:	2.32
IP(EA), eV:	-8.5(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-chloro-2,3,5,6-tetrafluorophenyl)sulfanyl-4-nitrothiophen-2-yl]acetaldehyde

Drug info:

PubChemData

Smile

CC(C)CN1CCN(CC1)CC2=C(C=CC(=C2)C3CCC4(CC3)OOC5(C6CC7CC(C6)CC5C7)OO4)O

DOS

IR

Vibrations