Geometry & MOs

Info

ID:	410894
PubChem CID:	135083695
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	189.118735
ΔH_f, kcal/mol:	-71.94
Dipole, Da:	2.84
IP(EA), eV:	-8.9(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE,S)-2-methyl-N-pentan-2-ylidenepropane-2-sulfinamide

Drug info:

PubChemData

Smile

C[C@]12CCCC([C@]13C=CC(O2)(OO3)C)(C)C

DOS

IR

Vibrations