Geometry & MOs

Info

ID:	203885
PubChem CID:	79888616
Reduced:	NF2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	175.0667
ΔH_f, kcal/mol:	-206.98
Dipole, Da:	4.41
IP(EA), eV:	-9.54(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-aminobutylsulfanyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C(=C1)F)OC(C)C(=O)OC)F)N

DOS

IR

Vibrations