Geometry & MOs

Info

ID:

111102

PubChem CID:

50352251

Reduced:

F2O5N6C36H42 (1)

Stoich.:

A2B5C6D36E42 (1)

Weight, g/mol:

650.359197

ΔHf, kcal/mol:

-267.69

Dipole, Da:

11.48

IP(EA), eV:

 -8.77(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-(cyclohexanecarbonylamino)-2-fluoroanilino]-2-oxoethyl]-1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)NC(=O)CC4=CC=C(C=C4)F)F)C

DOS

IR

Vibrations