Geometry & MOs

Info

ID:

105443

PubChem CID:

50107228

Reduced:

ClO4N5C28H36 (1)

Stoich.:

AB4C5D28E36 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-167.45

Dipole, Da:

6.03

IP(EA), eV:

 -8.93(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)Cl)C

DOS

IR

Vibrations