Geometry & MOs

Info

ID:

106111

PubChem CID:

50149634

Reduced:

ClO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-193.23

Dipole, Da:

5.89

IP(EA), eV:

 -8.56(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-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=C5Cl)C

DOS

IR

Vibrations