Geometry & MOs

Info

ID:	436675
PubChem CID:	135207366
Reduced:	S2N3O6C15H19 (1)
Stoich.:	A2B3C6D15E19 (1)
Weight, g/mol:	284.092594
ΔH_f, kcal/mol:	-206.73
Dipole, Da:	3.16
IP(EA), eV:	-9.23(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,3-dimethylphenyl)methyl]-1H-imidazole;phosphoric acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CN=C=S)OC(=O)C1=CC=C(C=C1)S(=O)(=O)N

DOS

IR

Vibrations