Geometry & MOs

Info

ID:

116067

PubChem CID:

50545460

Reduced:

ClN6O6C37H49 (1)

Stoich.:

AB6C6D37E49 (1)

Weight, g/mol:

678.273274

ΔHf, kcal/mol:

-253.5

Dipole, Da:

5.73

IP(EA), eV:

 -8.9(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]-1-[2-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations