Geometry & MOs

Info

ID:

95364

PubChem CID:

50008804

Reduced:

FN6O6C33H37 (1)

Stoich.:

AB6C6D33E37 (1)

Weight, g/mol:

566.285283

ΔHf, kcal/mol:

-240.98

Dipole, Da:

9.26

IP(EA), eV:

 -8.33(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-methoxy-4-(propanoylamino)anilino]-2-oxoethyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)F)OC

DOS

IR

Vibrations