Geometry & MOs

Info

ID:	144383
PubChem CID:	53359393
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	557.172639
ΔH_f, kcal/mol:	-23.64
Dipole, Da:	8.6
IP(EA), eV:	-9.0(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(E)-3-[1-(dimethylsulfamoyl)imidazol-4-yl]prop-2-enoyl]-N-[(E)-3-[1-(dimethylsulfamoyl)imidazol-4-yl]prop-2-enyl]carbamate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1C=C(N=C1)/C=C/CN(CC2=CC=CC=C2)C(=O)C=C

DOS

IR

Vibrations