Geometry & MOs

Info

ID:	130961
PubChem CID:	51135893
Reduced:	S2N3O4C25H25 (1)
Stoich.:	A2B3C4D25E25 (1)
Weight, g/mol:	274.156895
ΔH_f, kcal/mol:	-48.09
Dipole, Da:	5.69
IP(EA), eV:	-9.12(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-2,4-dihydroxy-3-methylbenzaldehyde

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)NCCCC3=NC(=CS3)C4=CC=NC=C4

DOS

IR

Vibrations