Geometry & MOs

Info

ID:

113953

PubChem CID:

50466017

Reduced:

F2N5O5H35C36 (1)

Stoich.:

A2B5C5D35E36 (1)

Weight, g/mol:

651.285698

ΔHf, kcal/mol:

-205.19

Dipole, Da:

7.92

IP(EA), eV:

 -8.64(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-methoxy-3-[(2-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC=CC=C4F)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations