Geometry & MOs

Info

ID:	135029
PubChem CID:	51800508
Reduced:	ClN2O3C27H37 (1)
Stoich.:	AB2C3D27E37 (1)
Weight, g/mol:	496.330108
ΔH_f, kcal/mol:	-146.84
Dipole, Da:	4.77
IP(EA), eV:	-9.2(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[(1R)-1-(3-hydroxyphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]oct-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN([C@H](C2=CC=C(C=C2)Cl)C(=O)NC(C)(C)C)C(=O)CCC3CCCCC3

DOS

IR

Vibrations