Geometry & MOs

Info

ID:	150122
PubChem CID:	53789808
Reduced:	Cl2O4N8H30C31 (1)
Stoich.:	A2B4C8D30E31 (1)
Weight, g/mol:	222.144222
ΔH_f, kcal/mol:	-3.22
Dipole, Da:	2.04
IP(EA), eV:	-8.32(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethylpentan-2-ylsulfanylmethylbenzene

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)N3C=NNC3=O)C4=CC=C(C=C4)OC[C@@H]5CO[C@@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl

DOS

IR

Vibrations