Geometry & MOs

Info

ID:

110142

PubChem CID:

50313390

Reduced:

FO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-224.44

Dipole, Da:

5.63

IP(EA), eV:

 -8.9(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[2-methyl-4-(propylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4F)C(=O)N

DOS

IR

Vibrations