Geometry & MOs

Info

ID:	209888
PubChem CID:	80735297
Reduced:	ClFN4H10C11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	354.011092
ΔH_f, kcal/mol:	1.66
Dipole, Da:	3.07
IP(EA), eV:	-8.95(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(5-chloro-4-nitrothiophen-2-yl)sulfonylpiperidin-2-yl]ethanol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC2=CC(=NC(=N2)N)Cl

DOS

IR

Vibrations