Geometry & MOs

Info

ID:	135031
PubChem CID:	51800809
Reduced:	SN2O6C28H34 (1)
Stoich.:	AB2C6D28E34 (1)
Weight, g/mol:	456.298808
ΔH_f, kcal/mol:	-179.16
Dipole, Da:	8.59
IP(EA), eV:	-9.27(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(1S)-2-(tert-butylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-2-ethyl-N-[(5-methylfuran-2-yl)methyl]hexanamide

Drug info:

PubChemData

Smile

CCCCC/C=C\C(=O)N(CC1=CC=C(O1)C)[C@H](C2=CC=CO2)C(=O)NCS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations