Geometry & MOs

Info

ID:

106039

PubChem CID:

50147416

Reduced:

O4N5C29H39 (1)

Stoich.:

A4B5C29D39 (1)

Weight, g/mol:

605.282504

ΔHf, kcal/mol:

-164.77

Dipole, Da:

5.15

IP(EA), eV:

 -8.78(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-oxo-2-[2-(trifluoromethoxy)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)C)C

DOS

IR

Vibrations