Geometry & MOs

Info

ID:

110885

PubChem CID:

50343072

Reduced:

ClFO4N5C30H37 (1)

Stoich.:

ABC4D5E30F37 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-210.27

Dipole, Da:

4.71

IP(EA), eV:

 -8.87(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]-1-[2-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)F)Cl)C

DOS

IR

Vibrations