Geometry & MOs

Info

ID:

109927

PubChem CID:

50301746

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

606.352969

ΔHf, kcal/mol:

-220.17

Dipole, Da:

7.43

IP(EA), eV:

 -8.63(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(butan-2-ylcarbamoyl)-6-methylanilino]-2-oxoethyl]-1-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=CC(=C2NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)N(C)C)C

DOS

IR

Vibrations