Geometry & MOs

Info

ID:

115313

PubChem CID:

50518603

Reduced:

ClFO4N5C29H29 (1)

Stoich.:

ABC4D5E29F29 (1)

Weight, g/mol:

752.349775

ΔHf, kcal/mol:

-165.94

Dipole, Da:

7.14

IP(EA), eV:

 -8.89(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations