Geometry & MOs

Info

ID:	141494
PubChem CID:	52883472
Reduced:	ON3C19H29 (1)
Stoich.:	AB3C19D29 (1)
Weight, g/mol:	470.081758
ΔH_f, kcal/mol:	-11.97
Dipole, Da:	4.35
IP(EA), eV:	-8.49(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-(2-formylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,5-dimethylfuran-3-carboxylate

Drug info:

PubChemData

Smile

CCC(CC)N(CC1=NN=C(O1)C(C)C)C2=CC(=C(C=C2)C)C

DOS

IR

Vibrations