Geometry & MOs

Info

ID:	444040
PubChem CID:	135261138
Reduced:	FO3N5C24H28 (1)
Stoich.:	AB3C5D24E28 (1)
Weight, g/mol:	643.11793
ΔH_f, kcal/mol:	-94.84
Dipole, Da:	0.85
IP(EA), eV:	-8.61(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-iodo-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CNC2=NC=CC(=C12)OC3=C(C=C(C=C3)C[C@@H](C(=O)N4CCN5CCOCC5C4)N)F

DOS

IR

Vibrations