Geometry & MOs

Info

ID:

375659

PubChem CID:

134220715

Reduced:

N3F4O5H27C29 (1)

Stoich.:

A3B4C5D27E29 (1)

Weight, g/mol:

509.212613

ΔHf, kcal/mol:

-338.12

Dipole, Da:

8.04

IP(EA), eV:

 -8.24(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(ethylamino)-5-[3-[[[(2S)-2-fluoro-3-hydroxypropyl]amino]-hydroxymethyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

CCNC1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)C4=CC(=CC=C4)C(NC(C(=O)OC)C(F)(F)F)O

DOS

IR

Vibrations