Geometry & MOs

Info

ID:	66152
PubChem CID:	46500014
Reduced:	SN3O4H15C17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	427.141973
ΔH_f, kcal/mol:	-74.68
Dipole, Da:	10.9
IP(EA), eV:	-9.08(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1,3-dioxoinden-2-ylidene)methyl]-2-methoxyphenoxy]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C/C(=C/1\C=CC2=CC=CC=C2C1=O)/NNC3=NC(=O)C(S3)CC(=O)O

DOS

IR

Vibrations