Geometry & MOs

Info

ID:	292410
PubChem CID:	115001302
Reduced:	ClO2S2C8H11 (1)
Stoich.:	AB2C2D8E11 (1)
Weight, g/mol:	218.188195
ΔH_f, kcal/mol:	-87.12
Dipole, Da:	5.14
IP(EA), eV:	-9.24(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methylbutoxy)-1-propoxybutan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C(C)S(=O)(=O)Cl

DOS

IR

Vibrations