Geometry & MOs

Info

ID:	52364
PubChem CID:	12015206
Reduced:	SN4C9H22 (1)
Stoich.:	AB4C9D22 (1)
Weight, g/mol:	402.222866
ΔH_f, kcal/mol:	-5.82
Dipole, Da:	4.86
IP(EA), eV:	-8.44(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4,6-trimethylphenyl) 2,4,6-tri(propan-2-yl)benzenesulfonate

Drug info:

PubChemData

Smile

CCNCCNC(=S)NCCNCC

DOS

IR

Vibrations