Geometry & MOs

Info

ID:

106857

PubChem CID:

50179149

Reduced:

F2N5O5C29H35 (1)

Stoich.:

A2B5C5D29E35 (1)

Weight, g/mol:

742.360946

ΔHf, kcal/mol:

-273.51

Dipole, Da:

6.96

IP(EA), eV:

 -9.1(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(phenylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations