Geometry & MOs

Info

ID:

100391

PubChem CID:

50060853

Reduced:

ClFO4N5C38H39 (1)

Stoich.:

ABC4D5E38F39 (1)

Weight, g/mol:

683.267461

ΔHf, kcal/mol:

-163.17

Dipole, Da:

8.87

IP(EA), eV:

 -8.57(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-[(4-methylbenzoyl)amino]phenyl]-1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)C)C)Cl

DOS

IR

Vibrations