Geometry & MOs

Info

ID:

114362

PubChem CID:

50480378

Reduced:

F2O5N6C37H42 (1)

Stoich.:

A2B5C6D37E42 (1)

Weight, g/mol:

712.282089

ΔHf, kcal/mol:

-265.55

Dipole, Da:

12.43

IP(EA), eV:

 -8.82(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-fluoro-3-[(4-methoxybenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)NC(=O)C4CCCCC4)F)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations