Geometry & MOs

Info

ID:	402780
PubChem CID:	135057228
Reduced:	ClOSH11C14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	231.165686
ΔH_f, kcal/mol:	31.07
Dipole, Da:	2.89
IP(EA), eV:	-8.67(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE,S)-2-methyl-N-(2-methylheptan-3-ylidene)propane-2-sulfinamide

Drug info:

PubChemData

Smile

C1[C@@H](O1)C2=CC=C(C=C2)SC3=CC=C(C=C3)Cl

DOS

IR

Vibrations