Geometry & MOs

Info

ID:	199970
PubChem CID:	79325357
Reduced:	SO3N4H8C9 (1)
Stoich.:	AB3C4D8E9 (1)
Weight, g/mol:	233.108565
ΔH_f, kcal/mol:	-33.62
Dipole, Da:	7.24
IP(EA), eV:	-10.02(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(oxetan-3-ylsulfanyl)-2-(propylamino)propanoate

Drug info:

PubChemData

Smile

C1=CN(C(=C1)C(=O)NC2=NN=CS2)CC(=O)O

DOS

IR

Vibrations