Geometry & MOs

Info

ID:

120517

PubChem CID:

50731210

Reduced:

ClN5O5C35H40 (1)

Stoich.:

AB5C5D35E40 (1)

Weight, g/mol:

641.22051

ΔHf, kcal/mol:

-166.65

Dipole, Da:

2.06

IP(EA), eV:

 -8.77(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[2-fluoro-5-[(4-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)OC)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations