Geometry & MOs

Info

ID:	38925
PubChem CID:	8138171
Reduced:	N2O2H7C8 (2)
Stoich.:	A2B2C7D8 (2)
Weight, g/mol:	422.166414
ΔH_f, kcal/mol:	-83.96
Dipole, Da:	3.68
IP(EA), eV:	-9.4(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-(3,5-dimethylphenyl)-5-[(4-methoxyphenyl)methylidene]-2-[[(2S)-oxolan-2-yl]methylsulfanyl]imidazol-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations