Geometry & MOs

Info

ID:	328855
PubChem CID:	126728370
Reduced:	SO2N5C29H31 (1)
Stoich.:	AB2C5D29E31 (1)
Weight, g/mol:	259.0667
ΔH_f, kcal/mol:	-11.23
Dipole, Da:	6.4
IP(EA), eV:	-8.96(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-[5-(6-methyl-1,2-dihydropyridin-4-yl)thiophen-2-yl]cyclobut-2-en-1-one

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)CNC2CCC(CC2)NC3=NC=CC(=N3)/C=C\4/C(=O)NC(=O)S4)C5=CC=CC=C5

DOS

IR

Vibrations