Geometry & MOs

Info

ID:

90781

PubChem CID:

49972009

Reduced:

FN6O6C34H45 (1)

Stoich.:

AB6C6D34E45 (1)

Weight, g/mol:

638.322811

ΔHf, kcal/mol:

-294.53

Dipole, Da:

10.38

IP(EA), eV:

 -8.99(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-acetamido-2-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)F)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)C

DOS

IR

Vibrations