Geometry & MOs

Info

ID:

314612

PubChem CID:

126622448

Reduced:

ON4H12C13 (2)

Stoich.:

AB4C12D13 (2)

Weight, g/mol:

533.174433

ΔHf, kcal/mol:

70.17

Dipole, Da:

7.96

IP(EA), eV:

 -8.86(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(2S,4R)-4-fluoro-2-[(1S)-1-hydroxy-2-(6-methylpyridin-2-yl)ethyl]pyrrolidin-1-yl]-2-oxoethyl]-5-(sulfamoylmethoxy)indole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=NC(=C3C(=N2)N(C=N3)CC4=CC=C(C=C4)OC)NC5=CC(=NC=C5)NC(=O)C

DOS

IR

Vibrations