Geometry & MOs

Info

ID:

111177

PubChem CID:

50355547

Reduced:

N5O6C34H47 (1)

Stoich.:

A5B6C34D47 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-241.65

Dipole, Da:

5.48

IP(EA), eV:

 -8.2(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)OC)OC)C

DOS

IR

Vibrations