Geometry & MOs

Info

ID:	315235
PubChem CID:	126625233
Reduced:	SF2O4N5C27H33 (1)
Stoich.:	AB2C4D5E27F33 (1)
Weight, g/mol:	192.11503
ΔH_f, kcal/mol:	-89.41
Dipole, Da:	2.15
IP(EA), eV:	-7.0(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5E)-4-[(3Z)-penta-1,3-dien-3-yl]hepta-1,3,5-triene-2,6-diol

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1F)N2CC3=CN=C(C=C3C4(C2=O)CC4)C5=C(C=NN5COCCS(C)(C)C)N)F)OC

DOS

IR

Vibrations