Geometry & MOs

Info

ID:

119411

PubChem CID:

50684001

Reduced:

ClN6O6C40H47 (1)

Stoich.:

AB6C6D40E47 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-217.51

Dipole, Da:

4.56

IP(EA), eV:

 -8.4(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-methyl-3-(2-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC5)Cl)NC(=O)C6=CC=C(C=C6)OC

DOS

IR

Vibrations