Geometry & MOs

Info

ID:

110488

PubChem CID:

50326124

Reduced:

O5N6C27H34 (1)

Stoich.:

A5B6C27D34 (1)

Weight, g/mol:

580.300933

ΔHf, kcal/mol:

-185.52

Dipole, Da:

9.63

IP(EA), eV:

 -9.29(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[2-methoxy-5-(methylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N

DOS

IR

Vibrations