Geometry & MOs

Info

ID:

115429

PubChem CID:

50522752

Reduced:

ClFO4N5H35C36 (1)

Stoich.:

ABC4D5E35F36 (1)

Weight, g/mol:

635.290783

ΔHf, kcal/mol:

-153.06

Dipole, Da:

6.66

IP(EA), eV:

 -8.72(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[(4-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)Cl)C)F

DOS

IR

Vibrations