Geometry & MOs

Info

ID:

47224

PubChem CID:

10530740

Reduced:

O4N6C31H32 (1)

Stoich.:

A4B6C31D32 (1)

Weight, g/mol:

552.253669

ΔHf, kcal/mol:

-58.41

Dipole, Da:

3.13

IP(EA), eV:

 -8.67(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)N(C)C(=O)CNC(=O)/C=C/C2=CN=C(C=C2)NC(=O)C)C)COC3=CC=CC4=NC=C(N=C43)C

DOS

IR

Vibrations