Geometry & MOs

Info

ID:

118568

PubChem CID:

50647484

Reduced:

ClFO4N5C34H39 (1)

Stoich.:

ABC4D5E34F39 (1)

Weight, g/mol:

635.267461

ΔHf, kcal/mol:

-185.97

Dipole, Da:

2.45

IP(EA), eV:

 -9.16(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC(=C4)F)C

DOS

IR

Vibrations