Geometry & MOs

Info

ID:	48434
PubChem CID:	10548534
Reduced:	FNO3C24H24 (1)
Stoich.:	ABC3D24E24 (1)
Weight, g/mol:	393.215138
ΔH_f, kcal/mol:	-105.85
Dipole, Da:	5.72
IP(EA), eV:	-8.98(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,6-dimethyl-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxyphenyl]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

[11CH3]N(CC[C@@H](C1=CC=C(C=C1)F)OC2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)O

DOS

IR

Vibrations