Geometry & MOs

Info

ID:	379347
PubChem CID:	134418964
Reduced:	Cl3N3O4F9H17C28 (1)
Stoich.:	A3B3C4D9E17F28 (1)
Weight, g/mol:	412.167459
ΔH_f, kcal/mol:	-547.1
Dipole, Da:	6.63
IP(EA), eV:	-8.94(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-phenylmethoxyphenol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[C@H]2C(C2(Cl)Cl)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=C(C(=C(C=C4)F)NC(=O)COCC(F)(F)F)F)C(F)(F)F)F

DOS

IR

Vibrations