Geometry & MOs

Info

ID:	444037
PubChem CID:	135261093
Reduced:	FO2N5C22H28 (1)
Stoich.:	AB2C5D22E28 (1)
Weight, g/mol:	565.188272
ΔH_f, kcal/mol:	-67.89
Dipole, Da:	4.91
IP(EA), eV:	-8.41(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations