Geometry & MOs

Info

ID:	379578
PubChem CID:	134447543
Reduced:	SF2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	349.130553
ΔH_f, kcal/mol:	-170.9
Dipole, Da:	3.76
IP(EA), eV:	-8.57(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-amino-3-[amino-[[6-(3-chlorophenyl)-5-ethoxypyrazin-2-yl]methyl]amino]prop-2-en-1-ol

Drug info:

PubChemData

Smile

C1CC2=CC(=C(C(=C2OC1)F)F)OCC3CCC(CC3)S

DOS

IR

Vibrations