Geometry & MOs

Info

ID:	299520
PubChem CID:	117687210
Reduced:	NSO3C11H19 (1)
Stoich.:	ABC3D11E19 (1)
Weight, g/mol:	307.124215
ΔH_f, kcal/mol:	-147.71
Dipole, Da:	3.85
IP(EA), eV:	-9.03(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-tert-butylsulfanyl-2-isocyanato-2-methylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(CSC(C)(C)C)N=C=O

DOS

IR

Vibrations