Geometry & MOs

Info

ID:

95029

PubChem CID:

50005836

Reduced:

O5N6C33H38 (1)

Stoich.:

A5B6C33D38 (1)

Weight, g/mol:

616.280946

ΔHf, kcal/mol:

-156.53

Dipole, Da:

8.21

IP(EA), eV:

 -8.46(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(4-fluorobenzoyl)amino]anilino]-3-oxopropyl]-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)NCCC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations