Geometry & MOs

Info

ID:

106115

PubChem CID:

50149940

Reduced:

FN6O6C39H47 (1)

Stoich.:

AB6C6D39E47 (1)

Weight, g/mol:

662.379183

ΔHf, kcal/mol:

-260.52

Dipole, Da:

6.8

IP(EA), eV:

 -8.51(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-1-[1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC(=CC=C5)F)OC

DOS

IR

Vibrations