Geometry & MOs

Info

ID:	134710
PubChem CID:	51742936
Reduced:	N2O3C33H38 (1)
Stoich.:	A2B3C33D38 (1)
Weight, g/mol:	496.330108
ΔH_f, kcal/mol:	-62.72
Dipole, Da:	5.36
IP(EA), eV:	-8.33(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-(furan-2-ylmethyl)-N-[(1R)-1-(4-methoxyphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]oct-2-enamide

Drug info:

PubChemData

Smile

CCCCC/C=C/C(=O)N(CC1=CC=CO1)[C@H](C2=CC3=CC=CC=C3C4=CC=CC=C42)C(=O)NC(C)(C)C

DOS

IR

Vibrations