Geometry & MOs

Info

ID:

109605

PubChem CID:

50290753

Reduced:

F2O5N6C41H44 (1)

Stoich.:

A2B5C6D41E44 (1)

Weight, g/mol:

706.304574

ΔHf, kcal/mol:

-245.62

Dipole, Da:

8.14

IP(EA), eV:

 -8.69(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(propylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4C(=O)NC5=C(C=C(C=C5)C)F)C)F

DOS

IR

Vibrations