Geometry & MOs

Info

ID:

97072

PubChem CID:

50027418

Reduced:

F4O5N6C40H40 (1)

Stoich.:

A4B5C6D40E40 (1)

Weight, g/mol:

700.374847

ΔHf, kcal/mol:

-323.26

Dipole, Da:

6.3

IP(EA), eV:

 -9.16(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)F)C

DOS

IR

Vibrations