Geometry & MOs

Info

ID:

109788

PubChem CID:

50297378

Reduced:

F3O4N5C28H34 (1)

Stoich.:

A3B4C5D28E34 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-314.33

Dipole, Da:

11.72

IP(EA), eV:

 -9.12(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)N

DOS

IR

Vibrations