Geometry & MOs

Info

ID:	200462
PubChem CID:	79391241
Reduced:	NOSC5H5 (2)
Stoich.:	ABCD5E5 (2)
Weight, g/mol:	190.102751
ΔH_f, kcal/mol:	-31.74
Dipole, Da:	2.7
IP(EA), eV:	-9.18(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-3-propan-2-ylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC1=NSC(=C1C(=O)OCC2=CC=CS2)N

DOS

IR

Vibrations