Geometry & MOs

Info

ID:

95611

PubChem CID:

50010689

Reduced:

N5O5C32H37 (1)

Stoich.:

A5B5C32D37 (1)

Weight, g/mol:

587.290783

ΔHf, kcal/mol:

-160.29

Dipole, Da:

2.63

IP(EA), eV:

 -8.96(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(2-fluoro-4-methylphenyl)carbamoyl]-6-methylphenyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations