Geometry & MOs

Info

ID:

91159

PubChem CID:

49973717

Reduced:

ClN6O6C34H43 (1)

Stoich.:

AB6C6D34E43 (1)

Weight, g/mol:

680.308911

ΔHf, kcal/mol:

-229.06

Dipole, Da:

6.85

IP(EA), eV:

 -8.86(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C(=O)N(C)C

DOS

IR

Vibrations