Geometry & MOs

Info

ID:

113889

PubChem CID:

50462855

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

708.324703

ΔHf, kcal/mol:

-227.84

Dipole, Da:

10.59

IP(EA), eV:

 -8.93(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3C(=O)NCC(C)C)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations