Geometry & MOs

Info

ID:

100762

PubChem CID:

50063961

Reduced:

FSO4N5C36H44 (1)

Stoich.:

ABC4D5E36F44 (1)

Weight, g/mol:

651.285698

ΔHf, kcal/mol:

-188.11

Dipole, Da:

5.2

IP(EA), eV:

 -8.26(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methoxy-4-[(4-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=CC=C4)SC)F

DOS

IR

Vibrations