Geometry & MOs

Info

ID:

100547

PubChem CID:

50062279

Reduced:

ClFO5N6C40H42 (1)

Stoich.:

ABC5D6E40F42 (1)

Weight, g/mol:

746.335875

ΔHf, kcal/mol:

-202.02

Dipole, Da:

12.82

IP(EA), eV:

 -8.79(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(cyclohexanecarbonylamino)anilino]-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)Cl)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations