Geometry & MOs

Info

ID:

110059

PubChem CID:

50307592

Reduced:

ClO5N6C28H35 (1)

Stoich.:

AB5C6D28E35 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-196.07

Dipole, Da:

7.09

IP(EA), eV:

 -9.22(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-[(3-fluorophenyl)carbamoyl]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(=C(C=C3)C(=O)N(C)C)Cl)C(=O)N

DOS

IR

Vibrations