Geometry & MOs

Info

ID:	155198
PubChem CID:	56322628
Reduced:	SO3N6C24H34 (1)
Stoich.:	AB3C6D24E34 (1)
Weight, g/mol:	355.146681
ΔH_f, kcal/mol:	-78.46
Dipole, Da:	9.26
IP(EA), eV:	-9.13(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)NCCCC4=C(NN=C4)C

DOS

IR

Vibrations