Geometry & MOs

Info

ID:

109787

PubChem CID:

50297377

Reduced:

N5O6C29H39 (1)

Stoich.:

A5B6C29D39 (1)

Weight, g/mol:

561.256289

ΔHf, kcal/mol:

-236.42

Dipole, Da:

3.27

IP(EA), eV:

 -8.35(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-methyl-1-oxo-1-[4-(trifluoromethyl)anilino]butan-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=C(C=C(C=C3)OC)OC)C(=O)N

DOS

IR

Vibrations