Geometry & MOs

Info

ID:

107933

PubChem CID:

50224585

Reduced:

F2O5N6C33H36 (1)

Stoich.:

A2B5C6D33E36 (1)

Weight, g/mol:

616.280946

ΔHf, kcal/mol:

-251.17

Dipole, Da:

14.36

IP(EA), eV:

 -8.99(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(2-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-1-[1-[2-methyl-4-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations