Geometry & MOs

Info

ID:

314929

PubChem CID:

126623979

Reduced:

FO3N6C30H31 (1)

Stoich.:

AB3C6D30E31 (1)

Weight, g/mol:

556.259817

ΔHf, kcal/mol:

-90.08

Dipole, Da:

7.6

IP(EA), eV:

 -8.8(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-4-fluoro-N-(4-phenylbutyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)[C@@H]2CCC(CCN2C(=O)CN3C=C(C4=C3C=CC(=C4)C5=CN=C(C=C5)C)C(=O)N)F

DOS

IR

Vibrations