Geometry & MOs

Info

ID:	48486
PubChem CID:	10587359
Reduced:	SN3O4C9H13 (1)
Stoich.:	AB3C4D9E13 (1)
Weight, g/mol:	259.062677
ΔH_f, kcal/mol:	-113.03
Dipole, Da:	4.41
IP(EA), eV:	-9.57(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[1-(dimethylsulfamoyl)imidazol-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1C=C(N=C1)/C=C\C(=O)OC

DOS

IR

Vibrations