Geometry & MOs

Info

ID:

106117

PubChem CID:

50149942

Reduced:

N6O6C35H48 (1)

Stoich.:

A6B6C35D48 (1)

Weight, g/mol:

601.287589

ΔHf, kcal/mol:

-259.78

Dipole, Da:

4.97

IP(EA), eV:

 -8.09(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NCC(C)C)C)OC

DOS

IR

Vibrations