Geometry & MOs

Info

ID:	163395
PubChem CID:	57929600
Reduced:	SCl2O3N4C15H16 (1)
Stoich.:	AB2C3D4E15F16 (1)
Weight, g/mol:	187.1361
ΔH_f, kcal/mol:	-73.1
Dipole, Da:	3.36
IP(EA), eV:	-8.64(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-3-(isocyanomethyl)-5-methylbenzene

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=C(C=C(C=C1)Cl)CN2C=C(C=C(C2=N)C(=O)N)Cl

DOS

IR

Vibrations