Geometry & MOs

Info

ID:

95634

PubChem CID:

50010863

Reduced:

N5O6C28H35 (1)

Stoich.:

A5B6C28D35 (1)

Weight, g/mol:

616.280946

ΔHf, kcal/mol:

-217.04

Dipole, Da:

7.41

IP(EA), eV:

 -8.4(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(3-fluorophenyl)carbamoyl]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=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations