Geometry & MOs

Info

ID:

111140

PubChem CID:

50353645

Reduced:

FO3N4C27H35 (1)

Stoich.:

AB3C4D27E35 (1)

Weight, g/mol:

670.327897

ΔHf, kcal/mol:

-171.08

Dipole, Da:

11.57

IP(EA), eV:

 -8.29(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(4-fluorobenzoyl)amino]-3-methylanilino]-2-oxoethyl]-1-[2-[2-methyl-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NCC(C)C)F

DOS

IR

Vibrations