Geometry & MOs

Info

ID:

93968

PubChem CID:

49997805

Reduced:

FO4N5C28H36 (1)

Stoich.:

AB4C5D28E36 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-206.94

Dipole, Da:

5.04

IP(EA), eV:

 -8.94(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations