Geometry & MOs

Info

ID:

106203

PubChem CID:

50152511

Reduced:

N3O3C17H24 (2)

Stoich.:

A3B3C17D24 (2)

Weight, g/mol:

622.347883

ΔHf, kcal/mol:

-263.82

Dipole, Da:

4.73

IP(EA), eV:

 -8.02(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-acetamido-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)NC(=O)CC)OC)C

DOS

IR

Vibrations