Geometry & MOs

Info

ID:

100363

PubChem CID:

50060514

Reduced:

F2O5N6C41H44 (1)

Stoich.:

A2B5C6D41E44 (1)

Weight, g/mol:

754.304574

ΔHf, kcal/mol:

-251.14

Dipole, Da:

12.75

IP(EA), eV:

 -8.57(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(2-chlorobenzoyl)amino]-3-methylanilino]-3-oxopropyl]-1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations