Geometry & MOs

Info

ID:	379325
PubChem CID:	134358227
Reduced:	SO2N4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	344.198759
ΔH_f, kcal/mol:	32.09
Dipole, Da:	3.01
IP(EA), eV:	-9.07(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-(1-hydroxy-2,3-dimethylbut-2-enoxy)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CNCC2=NN=C(O2)C3=CC=CC=C3OC

DOS

IR

Vibrations