Geometry & MOs

Info

ID:	412810
PubChem CID:	135085739
Reduced:	O2C11H22 (1)
Stoich.:	A2B11C22 (1)
Weight, g/mol:	223.103085
ΔH_f, kcal/mol:	-105.77
Dipole, Da:	1.66
IP(EA), eV:	-10.07(1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE,S)-4-methyl-N-(3-methylbutan-2-ylidene)benzenesulfinamide

Drug info:

PubChemData

Smile

CCCC[C@H]1[C@H](O1)C(CC(C)C)O

DOS

IR

Vibrations