Geometry & MOs

Info

ID:	404646
PubChem CID:	135068405
Reduced:	FeNOH17C23 (1)
Stoich.:	ABCD17E23 (1)
Weight, g/mol:	422.248851
ΔH_f, kcal/mol:	277.89
Dipole, Da:	3.91
IP(EA), eV:	-6.91(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4Z,6R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6-[(4-methoxyphenyl)methoxymethyl]oxan-2-yl]methanol

Drug info:

PubChemData

Smile

C1=C[CH]C=C1.C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C4=C[CH]C=C4.[Fe]

DOS

IR

Vibrations