Geometry & MOs

Info

ID:	312454
PubChem CID:	126605365
Reduced:	NS2O4C8H15 (1)
Stoich.:	AB2C4D8E15 (1)
Weight, g/mol:	145.073893
ΔH_f, kcal/mol:	-188.24
Dipole, Da:	1.12
IP(EA), eV:	-9.04(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-isocyanatoethoxy)propan-1-ol

Drug info:

PubChemData

Smile

C(CS)C(=O)OCCNC(=O)OCCS

DOS

IR

Vibrations