Geometry & MOs

Info

ID:	396526
PubChem CID:	135028626
Reduced:	NO2C7H7 (3)
Stoich.:	AB2C7D7 (3)
Weight, g/mol:	278.108899
ΔH_f, kcal/mol:	-116.58
Dipole, Da:	2.07
IP(EA), eV:	-9.73(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5,5-dimethyl-2-methylsulfanyl-4H-imidazole-3-carboxylate

Drug info:

PubChemData

Smile

CO[C@@H]1[C@@H]([C@@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)N=[N+]=[N-])OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations