Geometry & MOs

Info

ID:

135244

PubChem CID:

51838715

Reduced:

NO2C15H18 (2)

Stoich.:

AB2C15D18 (2)

Weight, g/mol:

518.278072

ΔHf, kcal/mol:

-135.84

Dipole, Da:

3.62

IP(EA), eV:

 -8.96(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-N-[(1R)-2-(cyclohexylamino)-1-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-N-[(5-methylfuran-2-yl)methyl]-3-phenylbutanamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN([C@H](C2=CC=C(C=C2)O)C(=O)NC3CCCCC3)C(=O)C[C@H](C)C4=CC=CC=C4

DOS

IR

Vibrations