Geometry & MOs

Info

ID:

117381

PubChem CID:

50600765

Reduced:

ClN6O6C33H37 (1)

Stoich.:

AB6C6D33E37 (1)

Weight, g/mol:

726.273274

ΔHf, kcal/mol:

-192.93

Dipole, Da:

9.92

IP(EA), eV:

 -8.82(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[3-[[2-(4-fluorophenyl)acetyl]amino]-4-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC2=CC=CC=C2)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)NC)OC

DOS

IR

Vibrations