Geometry & MOs

Info

ID:	392940
PubChem CID:	135018592
Reduced:	IN2F6O8C37H39 (1)
Stoich.:	AB2C6D8E37F39 (1)
Weight, g/mol:	304.094688
ΔH_f, kcal/mol:	-586.61
Dipole, Da:	6.37
IP(EA), eV:	-9.11(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3-(2-hydroxybenzoyl)-2,4-dimethylidenepentanedioate

Drug info:

PubChemData

Smile

CC1[C@H]([C@@H](C[C@@H](O1)C2=CC(=C(C(=C2O)I)O)[C@@H]3C[C@@]([C@@H](C(O3)C)OCC4=CC=CC=C4)(C)NC(=O)C(F)(F)F)NC(=O)C(F)(F)F)OCC5=CC=CC=C5

DOS

IR

Vibrations