Geometry & MOs

Info

ID:	322021
PubChem CID:	126668300
Reduced:	OC10H12 (1)
Stoich.:	AB10C12 (1)
Weight, g/mol:	481.207683
ΔH_f, kcal/mol:	-23.58
Dipole, Da:	1.29
IP(EA), eV:	-9.09(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-[(3R,7S)-6-acetamido-3-hydroxy-2-(hydroxymethyl)-7-methyloxepan-4-yl]oxy-2-phosphanylethoxy]-3-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C/C=C(\C1=CC=CC=C1C)/O

DOS

IR

Vibrations