Geometry & MOs

Info

ID:	221971
PubChem CID:	85293068
Reduced:	SN3O7C18H21 (1)
Stoich.:	AB3C7D18E21 (1)
Weight, g/mol:	424.264731
ΔH_f, kcal/mol:	-132.95
Dipole, Da:	7.71
IP(EA), eV:	-9.76(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylbutan-2-yloxy]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC(=CC=C2)[N+](=O)[O-])C(C(=O)N(C)OC)O

DOS

IR

Vibrations