Geometry & MOs

Info

ID:

105567

PubChem CID:

50126434

Reduced:

ClFN4O4C30H32 (1)

Stoich.:

ABC4D4E30F32 (1)

Weight, g/mol:

706.304574

ΔHf, kcal/mol:

-166.43

Dipole, Da:

13.53

IP(EA), eV:

 -8.57(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]-1-[1-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations