Geometry & MOs

Info

ID:

96095

PubChem CID:

50018871

Reduced:

ClFO4N5C37H43 (1)

Stoich.:

ABC4D5E37F43 (1)

Weight, g/mol:

649.283111

ΔHf, kcal/mol:

-187.76

Dipole, Da:

3.29

IP(EA), eV:

 -9.32(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(diethylcarbamoyl)phenyl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations