Geometry & MOs

Info

ID:

111115

PubChem CID:

50352495

Reduced:

F2O4N5C33H35 (1)

Stoich.:

A2B4C5D33E35 (1)

Weight, g/mol:

578.321668

ΔHf, kcal/mol:

-195.84

Dipole, Da:

7.82

IP(EA), eV:

 -8.87(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=C(C=CC=C4F)F)C(=O)N5CCCC5

DOS

IR

Vibrations