Geometry & MOs

Info

ID:

318982

PubChem CID:

126654049

Reduced:

BrO3N8H23C26 (1)

Stoich.:

AB3C8D23E26 (1)

Weight, g/mol:

602.10773

ΔHf, kcal/mol:

26.46

Dipole, Da:

3.09

IP(EA), eV:

 -9.32(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[2-(3-acetyl-5-pyrrolo[1,2-a]pyrimidin-3-ylindol-1-yl)acetyl]-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)N)CC(=O)N4[C@@H]5C[C@@H]5C[C@H]4C(=O)NC6=NC(=CC=C6)Br

DOS

IR

Vibrations