Geometry & MOs

Info

ID:	158986
PubChem CID:	57244352
Reduced:	N3O3C15H29 (1)
Stoich.:	A3B3C15D29 (1)
Weight, g/mol:	284.13655
ΔH_f, kcal/mol:	-187.46
Dipole, Da:	5.28
IP(EA), eV:	-9.35(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butylsulfanylpropyl)-3-chloro-2-propan-2-ylbenzene

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1C(=O)NCCCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations