Geometry & MOs

Info

ID:

112084

PubChem CID:

50393947

Reduced:

N5O5C35H47 (1)

Stoich.:

A5B5C35D47 (1)

Weight, g/mol:

688.394833

ΔHf, kcal/mol:

-203.42

Dipole, Da:

7.69

IP(EA), eV:

 -8.83(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-3-(2-methylpropylcarbamoyl)phenyl]-1-[1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(C)C)C(=O)N5CCOCC5

DOS

IR

Vibrations