Geometry & MOs

Info

ID:

102328

PubChem CID:

50066290

Reduced:

FO3N4C28H29 (1)

Stoich.:

AB3C4D28E29 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-116.43

Dipole, Da:

7.13

IP(EA), eV:

 -9.0(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[2-methyl-4-(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=CC=CC=C4

DOS

IR

Vibrations