Geometry & MOs

Info

ID:

94242

PubChem CID:

49999260

Reduced:

FO5N6C43H55 (1)

Stoich.:

AB5C6D43E55 (1)

Weight, g/mol:

637.343961

ΔHf, kcal/mol:

-257.33

Dipole, Da:

5.78

IP(EA), eV:

 -8.22(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-1-[1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5F)C

DOS

IR

Vibrations