Geometry & MOs

Info

ID:	159942
PubChem CID:	57299208
Reduced:	NO2C19H29 (1)
Stoich.:	AB2C19D29 (1)
Weight, g/mol:	326.206822
ΔH_f, kcal/mol:	-116.65
Dipole, Da:	6.57
IP(EA), eV:	-8.65(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-1-(2-tert-butyl-4-methylphenyl)sulfanyl-4-methylbenzene

Drug info:

PubChemData

Smile

C[C@]12CC[C@@H]3[C@H]([C@@H]1CC(C2)O)CN(C4=CC(=O)CC[C@]34C)C

DOS

IR

Vibrations