Geometry & MOs

Info

ID:	229050
PubChem CID:	87566845
Reduced:	FSN4O5C24H27 (1)
Stoich.:	ABC4D5E24F27 (1)
Weight, g/mol:	246.979542
ΔH_f, kcal/mol:	-152.33
Dipole, Da:	0.7
IP(EA), eV:	-9.13(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(pyridin-2-yltrisulfanyl)propanoic acid

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=NN(N=C4C(=O)O)CCCC(=O)O)/C3)S

DOS

IR

Vibrations