Geometry & MOs

Info

ID:	342167
PubChem CID:	127264880
Reduced:	F2O3N4H12C15 (1)
Stoich.:	A2B3C4D12E15 (1)
Weight, g/mol:	337.073242
ΔH_f, kcal/mol:	-138.01
Dipole, Da:	3.17
IP(EA), eV:	-9.57(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-1H-imidazole-5-carboxylate

Drug info:

PubChemData

Smile

CCN1C2=C(C=N1)C(=O)N(C=N2)CC3=CC4=C(C=C3)OC(O4)(F)F

DOS

IR

Vibrations