Geometry & MOs

Info

ID:	28156
PubChem CID:	825914
Reduced:	ON2C19H24 (1)
Stoich.:	AB2C19D24 (1)
Weight, g/mol:	257.072179
ΔH_f, kcal/mol:	-11.1
Dipole, Da:	5.52
IP(EA), eV:	-9.07(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-1-methylsulfonyl-4-nitrobenzene

Drug info:

PubChemData

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CC[C@H]1C[C@H]2CCN1[C@@H](C2)[C@@H](C3=CC=NC4=CC=CC=C34)O

DOS

IR

Vibrations