Geometry & MOs

Info

ID:

118989

PubChem CID:

50666573

Reduced:

ClO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

672.259374

ΔHf, kcal/mol:

-223.7

Dipole, Da:

7.51

IP(EA), eV:

 -9.08(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC(C)C)Cl)C

DOS

IR

Vibrations