Geometry & MOs

Info

ID:

105059

PubChem CID:

50106274

Reduced:

F4O5N6C41H42 (1)

Stoich.:

A4B5C6D41E42 (1)

Weight, g/mol:

672.307161

ΔHf, kcal/mol:

-330.72

Dipole, Da:

14.61

IP(EA), eV:

 -9.04(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations