Geometry & MOs

Info

ID:

95727

PubChem CID:

50013042

Reduced:

F2O5N6C38H46 (1)

Stoich.:

A2B5C6D38E46 (1)

Weight, g/mol:

640.313996

ΔHf, kcal/mol:

-267.23

Dipole, Da:

11.17

IP(EA), eV:

 -8.9(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC(=C3)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations