Geometry & MOs

Info

ID:

106655

PubChem CID:

50171550

Reduced:

F2O4N5C32H39 (1)

Stoich.:

A2B4C5D32E39 (1)

Weight, g/mol:

700.313996

ΔHf, kcal/mol:

-246.39

Dipole, Da:

10.11

IP(EA), eV:

 -8.96(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-benzamido-3-chloroanilino)-3-oxopropyl]-1-[1-[2-methyl-4-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations