Geometry & MOs

Info

ID:

108758

PubChem CID:

50257252

Reduced:

ClO5N6C31H33 (1)

Stoich.:

AB5C6D31E33 (1)

Weight, g/mol:

742.385412

ΔHf, kcal/mol:

-174.78

Dipole, Da:

7.12

IP(EA), eV:

 -8.75(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(cyclohexylcarbamoyl)-2-methoxyanilino]-1-oxopropan-2-yl]-1-[1-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)Cl)C(=O)N

DOS

IR

Vibrations