Geometry & MOs

Info

ID:

102337

PubChem CID:

50066367

Reduced:

FO4N5C31H34 (1)

Stoich.:

AB4C5D31E34 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-168.53

Dipole, Da:

6.68

IP(EA), eV:

 -8.96(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[3-(3-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)NC)C

DOS

IR

Vibrations