Geometry & MOs

Info

ID:

314932

PubChem CID:

126623984

Reduced:

FS2O5N7H32C35 (1)

Stoich.:

AB2C5D7E32F35 (1)

Weight, g/mol:

576.160056

ΔHf, kcal/mol:

-120.13

Dipole, Da:

5.56

IP(EA), eV:

 -8.48(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]-1-[(2R,4R)-2-[3-(3-chloro-2-fluorophenyl)-1H-1,2,4-triazol-5-yl]-4-fluoropyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(C(=O)N3C(=O)N)CS(=O)(=O)N4CCCCC[C@H]4C(=O)NC5=CC=CC(=C5F)C6=CSC7=CC=CC=C76

DOS

IR

Vibrations