Geometry & MOs

Info

ID:

107416

PubChem CID:

50202217

Reduced:

F2O5N6C39H46 (1)

Stoich.:

A2B5C6D39E46 (1)

Weight, g/mol:

664.374847

ΔHf, kcal/mol:

-270.98

Dipole, Da:

10.96

IP(EA), eV:

 -8.93(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(cyclohexanecarbonylamino)-2-fluoroanilino]-1-oxopropan-2-yl]-1-[2-[4-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=CC=C5F)F)C

DOS

IR

Vibrations