Geometry & MOs

Info

ID:

105365

PubChem CID:

50107008

Reduced:

N5O6C29H39 (1)

Stoich.:

A5B6C29D39 (1)

Weight, g/mol:

561.256289

ΔHf, kcal/mol:

-231.15

Dipole, Da:

2.71

IP(EA), eV:

 -8.81(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-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(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations