Geometry & MOs

Info

ID:	406662
PubChem CID:	135078305
Reduced:	NO7C30H51 (1)
Stoich.:	AB7C30D51 (1)
Weight, g/mol:	327.114044
ΔH_f, kcal/mol:	-355.4
Dipole, Da:	3.97
IP(EA), eV:	-8.19(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(4-methylphenyl)sulfonyloxyiminobutanoate

Drug info:

PubChemData

Smile

CC(C)[C@H]1C[C@@H](N([C@@H]1C2=CC(=C(C=C2)OC)OCCCOC)C(=O)OC(C)(C)C)[C@@H](C[C@@H](CO)C(C)C)O

DOS

IR

Vibrations