Geometry & MOs

Info

ID:

95654

PubChem CID:

50011235

Reduced:

FO5N6C30H39 (1)

Stoich.:

AB5C6D30E39 (1)

Weight, g/mol:

616.280946

ΔHf, kcal/mol:

-242.29

Dipole, Da:

6.68

IP(EA), eV:

 -8.8(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(4-fluorobenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C(C)C

DOS

IR

Vibrations