Geometry & MOs

Info

ID:

49833

PubChem CID:

11533933

Reduced:

FO2N6C22H25 (1)

Stoich.:

AB2C6D22E25 (1)

Weight, g/mol:

538.222763

ΔHf, kcal/mol:

-38.89

Dipole, Da:

4.56

IP(EA), eV:

 -9.38(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,5S)-6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-3,5-dihydroxy-1-pyrrolidin-1-ylhexan-1-one

Drug info:

PubChemData

Smile

CN(C)C(=O)[C@@H](C1=CC=C(C=C1)C2=NN3C=CN=C3C=C2)[C@@H](C(=O)N4CC[C@@H](C4)F)N

DOS

IR

Vibrations