Geometry & MOs

Info

ID:

120577

PubChem CID:

50735356

Reduced:

N3O3C14H18 (2)

Stoich.:

A3B3C14D18 (2)

Weight, g/mol:

594.316583

ΔHf, kcal/mol:

-236.73

Dipole, Da:

4.18

IP(EA), eV:

 -8.32(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(2-carbamoylanilino)-1-oxopropan-2-yl]-N-[1-[4-methoxy-3-(2-methylbutanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations