Geometry & MOs

Info

ID:

94549

PubChem CID:

50002215

Reduced:

N3O3C19H24 (2)

Stoich.:

A3B3C19D24 (2)

Weight, g/mol:

650.379183

ΔHf, kcal/mol:

-220.87

Dipole, Da:

13.73

IP(EA), eV:

 -8.53(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-methoxy-3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations