Geometry & MOs

Info

ID:	238630
PubChem CID:	92763449
Reduced:	OSN2C7H12 (1)
Stoich.:	ABC2D7E12 (1)
Weight, g/mol:	314.047361
ΔH_f, kcal/mol:	-16.71
Dipole, Da:	2.91
IP(EA), eV:	-9.29(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CSC=N1)NCCO

DOS

IR

Vibrations