Geometry & MOs

Info

ID:

314964

PubChem CID:

126624046

Reduced:

BrF2O3N7H22C26 (1)

Stoich.:

AB2C3D7E22F26 (1)

Weight, g/mol:

578.244167

ΔHf, kcal/mol:

-84.34

Dipole, Da:

10.0

IP(EA), eV:

 -8.6(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(2S)-5-fluoro-2-[(6-methylpyridin-2-yl)carbamoyl]azepan-1-yl]-2-oxoethyl]-5-quinolin-7-ylindole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=C1C=C(C=C2)NC3=CC(=CN=C3)F)CC(=O)N4C[C@@H](C[C@H]4C(=O)NC5=NC(=CC=C5)Br)F

DOS

IR

Vibrations