Geometry & MOs

Info

ID:	43510
PubChem CID:	10321405
Reduced:	SO2N3C26H29 (1)
Stoich.:	AB2C3D26E29 (1)
Weight, g/mol:	447.298473
ΔH_f, kcal/mol:	-7.16
Dipole, Da:	3.53
IP(EA), eV:	-8.73(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E,6Z)-N-(5-ethyl-5-methyl-2-oxofuran-3-yl)-3-hydroxy-8-(3-nonyloxiran-2-yl)octa-4,6-dienamide

Drug info:

PubChemData

Smile

CN(CCOCCNC(=S)NC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations