Geometry & MOs

Info

ID:

106040

PubChem CID:

50147508

Reduced:

F3N5O5C30H38 (1)

Stoich.:

A3B5C5D30E38 (1)

Weight, g/mol:

623.323833

ΔHf, kcal/mol:

-366.97

Dipole, Da:

4.72

IP(EA), eV:

 -9.15(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(3-methylpiperidine-1-carbonyl)phenyl]-1-[1-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3OC(F)(F)F

DOS

IR

Vibrations