Geometry & MOs

Info

ID:	31978
PubChem CID:	3726649
Reduced:	NOC9H11 (3)
Stoich.:	ABC9D11 (3)
Weight, g/mol:	411.055878
ΔH_f, kcal/mol:	-81.46
Dipole, Da:	6.81
IP(EA), eV:	-9.05(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CC(=O)N2CCC(CC2)C3=NC=CN3CC4=CC(=CC(=C4)OC)OC)C

DOS

IR

Vibrations