Geometry & MOs

Info

ID:

104307

PubChem CID:

50103991

Reduced:

O5N6C29H38 (1)

Stoich.:

A5B6C29D38 (1)

Weight, g/mol:

584.251396

ΔHf, kcal/mol:

-206.44

Dipole, Da:

8.69

IP(EA), eV:

 -8.72(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[2-[4-chloro-3-(2-methylbutanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C)NC(=O)C(C)C

DOS

IR

Vibrations