Geometry & MOs

Info

ID:

116409

PubChem CID:

50559446

Reduced:

ClN6O6C33H41 (1)

Stoich.:

AB6C6D33E41 (1)

Weight, g/mol:

694.324561

ΔHf, kcal/mol:

-241.17

Dipole, Da:

10.08

IP(EA), eV:

 -8.09(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-methoxy-4-(2-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCC5)OC

DOS

IR

Vibrations