Geometry & MOs

Info

ID:	33544
PubChem CID:	7886927
Reduced:	N2O2S2C13H14 (1)
Stoich.:	A2B2C2D13E14 (1)
Weight, g/mol:	413.183838
ΔH_f, kcal/mol:	-37.93
Dipole, Da:	1.49
IP(EA), eV:	-8.78(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC)SC1=NC=NC2=C1C3=C(S2)CCC3

DOS

IR

Vibrations