Geometry & MOs

Info

ID:

115822

PubChem CID:

50534865

Reduced:

ClN5O5C32H42 (1)

Stoich.:

AB5C5D32E42 (1)

Weight, g/mol:

651.262375

ΔHf, kcal/mol:

-198.77

Dipole, Da:

10.81

IP(EA), eV:

 -9.04(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCC(CC4)C

DOS

IR

Vibrations