Geometry & MOs

Info

ID:

110638

PubChem CID:

50333464

Reduced:

FN6O6C35H41 (1)

Stoich.:

AB6C6D35E41 (1)

Weight, g/mol:

589.32642

ΔHf, kcal/mol:

-246.68

Dipole, Da:

6.49

IP(EA), eV:

 -8.4(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-1-[1-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)F)OC)C

DOS

IR

Vibrations