Geometry & MOs

Info

ID:

315614

PubChem CID:

126628185

Reduced:

N4H44C63 (1)

Stoich.:

A4B44C63 (1)

Weight, g/mol:

587.219666

ΔHf, kcal/mol:

292.3

Dipole, Da:

4.7

IP(EA), eV:

 -8.31(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[3-acetyl-5-(diethoxyphosphorylmethoxy)indol-1-yl]acetyl]-N-benzyl-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=C(C=C3)C4=NC(N=C(N4)C5=CC(=CC=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C9=CC=C(C=C9)C1=CC(=CC=C1)C1=CC=CC(=C1)C1=CC=CC=C1

DOS

IR

Vibrations