Geometry & MOs

Info

ID:

118872

PubChem CID:

50662239

Reduced:

ClO4N5C34H38 (1)

Stoich.:

AB4C5D34E38 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-130.77

Dipole, Da:

12.09

IP(EA), eV:

 -8.64(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[5-(diethylcarbamoyl)-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC5)Cl

DOS

IR

Vibrations