Geometry & MOs

Info

ID:	216532
PubChem CID:	85086378
Reduced:	ON4H14C16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	278.06128
ΔH_f, kcal/mol:	90.69
Dipole, Da:	8.8
IP(EA), eV:	-8.67(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-benzyl-2-methyl-5-oxothiophen-3-yl)oxyacetic acid

Drug info:

PubChemData

Smile

C1CN=C(N1)C2C=CC3=NC(=C4C=CC(=O)C=C4)NC3=C2

DOS

IR

Vibrations