Geometry & MOs

Info

ID:	299521
PubChem CID:	117687225
Reduced:	NSO3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	273.139865
ΔH_f, kcal/mol:	-118.48
Dipole, Da:	3.24
IP(EA), eV:	-9.37(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-tert-butylsulfanyl-2-isocyanato-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)SCC(C)(C(=O)OCC1=CC=CC=C1)N=C=O

DOS

IR

Vibrations