Geometry & MOs

Info

ID:	29289
PubChem CID:	832818
Reduced:	SN2O2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	266.057909
ΔH_f, kcal/mol:	0.56
Dipole, Da:	1.37
IP(EA), eV:	-7.96(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(3-oxo-2-benzofuran-1-ylidene)-2-phenylacetic acid

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)SC(=NC3=CC=C(C=C3)N(C)C)C2=O

DOS

IR

Vibrations