Geometry & MOs

Info

ID:

112775

PubChem CID:

50419276

Reduced:

O5N6C38H56 (1)

Stoich.:

A5B6C38D56 (1)

Weight, g/mol:

597.308183

ΔHf, kcal/mol:

-243.7

Dipole, Da:

8.18

IP(EA), eV:

 -8.29(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-(3-chloro-4-methylanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N(CC)CC)C

DOS

IR

Vibrations