Geometry & MOs

Info

ID:

95666

PubChem CID:

50011539

Reduced:

FO5N6C32H43 (1)

Stoich.:

AB5C6D32E43 (1)

Weight, g/mol:

584.251396

ΔHf, kcal/mol:

-265.55

Dipole, Da:

7.14

IP(EA), eV:

 -8.56(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetamido-4-chloroanilino)-1-oxopropan-2-yl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC)C)F

DOS

IR

Vibrations