Geometry & MOs

Info

ID:

115944

PubChem CID:

50540626

Reduced:

ClO5N6C38H51 (1)

Stoich.:

AB5C6D38E51 (1)

Weight, g/mol:

748.315139

ΔHf, kcal/mol:

-230.43

Dipole, Da:

3.97

IP(EA), eV:

 -8.56(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-[(2-fluorobenzoyl)amino]-3-methoxyphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)NC(=O)C5CCCCC5)Cl

DOS

IR

Vibrations