Geometry & MOs

Info

ID:	388166
PubChem CID:	134988406
Reduced:	OS3C7H14 (1)
Stoich.:	AB3C7D14 (1)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	-23.55
Dipole, Da:	1.59
IP(EA), eV:	-8.68(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-butan-2-yl-1-methyl-2H-naphthalene-1-carboxylic acid

Drug info:

PubChemData

Smile

CSC(C1(CC1)O)(SC)SC

DOS

IR

Vibrations