Geometry & MOs

Info

ID:

105902

PubChem CID:

50141885

Reduced:

F2O4N5C33H37 (1)

Stoich.:

A2B4C5D33E37 (1)

Weight, g/mol:

626.321668

ΔHf, kcal/mol:

-218.16

Dipole, Da:

5.04

IP(EA), eV:

 -9.17(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=C(C=C4)F)F)C

DOS

IR

Vibrations