Geometry & MOs

Info

ID:	299519
PubChem CID:	117687204
Reduced:	SO4C13H24 (1)
Stoich.:	AB4C13D24 (1)
Weight, g/mol:	245.108565
ΔH_f, kcal/mol:	-214.69
Dipole, Da:	2.06
IP(EA), eV:	-8.82(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-tert-butylsulfanyl-2-isocyanato-2-methylpropanoate

Drug info:

PubChemData

Smile

CCCC(CSC(C)(C)C)(C(=O)OC)C(=O)OC

DOS

IR

Vibrations