Geometry & MOs

Info

ID:	328645
PubChem CID:	126726230
Reduced:	SN2O2H16C21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	319.120843
ΔH_f, kcal/mol:	90.76
Dipole, Da:	3.67
IP(EA), eV:	-8.7(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4-methylidene-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)CNC(=O)C3=CC=CC(=S)N3O

DOS

IR

Vibrations