Geometry & MOs

Info

ID:	397862
PubChem CID:	135030853
Reduced:	NSO2H15C19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	304.113316
ΔH_f, kcal/mol:	7.27
Dipole, Da:	3.72
IP(EA), eV:	-9.19(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethylphenyl)sulfanyl-1,3,5-trimethoxybenzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CS[C@@]2(C3=CC=CC=C3C(=O)N2)C4=CC=CO4

DOS

IR

Vibrations