Geometry & MOs

Info

ID:	337807
PubChem CID:	127258430
Reduced:	NOSC7H10 (2)
Stoich.:	ABCD7E10 (2)
Weight, g/mol:	230.170437
ΔH_f, kcal/mol:	-47.3
Dipole, Da:	2.9
IP(EA), eV:	-8.64(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(3-methyloctyl) butanethioate

Drug info:

PubChemData

Smile

CCCC(=S)OC1N(C2=CC=CC=C2S1)NCC(C)O

DOS

IR

Vibrations