Geometry & MOs

Info

ID:	393816
PubChem CID:	135021766
Reduced:	NO3C11H13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	398.15518
ΔH_f, kcal/mol:	-224.99
Dipole, Da:	2.42
IP(EA), eV:	-9.67(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1Z)-3-(5-acetylfuran-2-yl)-1-phenylsulfanylhexa-1,5-dien-2-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

COC(=O)[C@H](CCCNC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations