Geometry & MOs

Info

ID:	328857
PubChem CID:	126728372
Reduced:	SO2N5C23H29 (1)
Stoich.:	AB2C5D23E29 (1)
Weight, g/mol:	273.045964
ΔH_f, kcal/mol:	-29.13
Dipole, Da:	2.97
IP(EA), eV:	-8.99(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-4-[(5Z)-5-(2-methyl-1H-pyridin-4-ylidene)thiophen-2-ylidene]cyclobutane-1,3-dione

Drug info:

PubChemData

Smile

C1CC(CCC1CNCCC2=CC=CC=C2)NC3=NCC=C(N3)/C=C\4/C(=O)NC(=O)S4

DOS

IR

Vibrations