Geometry & MOs

Info

ID:	204443
PubChem CID:	79966402
Reduced:	SN2O2C11H14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	-53.73
Dipole, Da:	4.52
IP(EA), eV:	-8.96(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-(2,3-dimethoxyphenyl)-3-prop-2-ynyl-4H-imidazol-2-one

Drug info:

PubChemData

Smile

C1CSCC(O1)C(=O)CC2=CC(=NC=C2)N

DOS

IR

Vibrations