Geometry & MOs

Info

ID:

103459

PubChem CID:

50071575

Reduced:

FN6O6C37H45 (1)

Stoich.:

AB6C6D37E45 (1)

Weight, g/mol:

674.322811

ΔHf, kcal/mol:

-273.66

Dipole, Da:

10.24

IP(EA), eV:

 -8.32(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetamido-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)F)C)OC

DOS

IR

Vibrations