Geometry & MOs

Info

ID:

92801

PubChem CID:

49989621

Reduced:

N6O6C41H56 (1)

Stoich.:

A6B6C41D56 (1)

Weight, g/mol:

740.406147

ΔHf, kcal/mol:

-264.72

Dipole, Da:

0.72

IP(EA), eV:

 -8.08(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[3-[[2-(4-fluorophenyl)acetyl]amino]-4-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6CCCCC6)OC

DOS

IR

Vibrations