Geometry & MOs

Info

ID:	262051
PubChem CID:	103267361
Reduced:	NSO2F3C9H14 (1)
Stoich.:	ABC2D3E9F14 (1)
Weight, g/mol:	203.098
ΔH_f, kcal/mol:	-259.57
Dipole, Da:	4.04
IP(EA), eV:	-8.72(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-ethylsulfanylpropan-2-ylamino)methyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CSCCC1NCC(C(=O)O)C(F)(F)F

DOS

IR

Vibrations