Geometry & MOs

Info

ID:	27877
PubChem CID:	824003
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	150.071451
ΔH_f, kcal/mol:	-121.23
Dipole, Da:	6.08
IP(EA), eV:	-8.84(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylsulfonyl-2-methylpropane

Drug info:

PubChemData

Smile

CC[C@H](C)N1C(=O)C(=CC2=CC(=C(C=C2)OC)OC)C(=O)NC1=S

DOS

IR

Vibrations