Geometry & MOs

Info

ID:	440685
PubChem CID:	135230961
Reduced:	ClOSN5C17H20 (1)
Stoich.:	ABCD5E17F20 (1)
Weight, g/mol:	210.144222
ΔH_f, kcal/mol:	20.94
Dipole, Da:	3.09
IP(EA), eV:	-8.72(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trimethyl(2-phenylbutan-2-yl)-lambda4-sulfane

Drug info:

PubChemData

Smile

C1CN(CCC12CCOC2)C3=CN=C(C=N3)SC4=C(C(=NC=C4)N)Cl

DOS

IR

Vibrations