Geometry & MOs

Info

ID:	209010
PubChem CID:	80612485
Reduced:	SN3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	272.119464
ΔH_f, kcal/mol:	-2.81
Dipole, Da:	4.33
IP(EA), eV:	-8.62(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(thian-2-ylmethylcarbamoyl)azetidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)C)NCC2CCCCS2

DOS

IR

Vibrations