Geometry & MOs

Info

ID:	205095
PubChem CID:	80054907
Reduced:	OSN2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	240.093249
ΔH_f, kcal/mol:	16.05
Dipole, Da:	1.99
IP(EA), eV:	-8.28(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(propan-2-ylamino)-3-pyridin-4-ylsulfanylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N)OCCCSC2=CC=NC=C2

DOS

IR

Vibrations