Geometry & MOs

Info

ID:	85466
PubChem CID:	49875450
Reduced:	S3O4N7H11C13 (1)
Stoich.:	A3B4C7D11E13 (1)
Weight, g/mol:	428.173607
ΔH_f, kcal/mol:	6.69
Dipole, Da:	5.7
IP(EA), eV:	-9.19(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dimethoxyphenyl)methoxy]-1-phenyl-4-(2-phenylethynyl)imidazolidin-2-one

Drug info:

PubChemData

Smile

CC1=CN=C(S1)N/C(=C\2/C(=O)C3=C(C=C(S3)C4=NNN=N4)S(=O)(=O)N2C)/O

DOS

IR

Vibrations