Geometry & MOs

Info

ID:

106952

PubChem CID:

50182254

Reduced:

FN6O6C40H49 (1)

Stoich.:

AB6C6D40E49 (1)

Weight, g/mol:

728.369761

ΔHf, kcal/mol:

-269.62

Dipole, Da:

3.86

IP(EA), eV:

 -8.7(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-[(3-fluorobenzoyl)amino]-4-methoxyanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations