Geometry & MOs

Info

ID:	174852
PubChem CID:	75822650
Reduced:	BrNSO4C13H17 (1)
Stoich.:	ABCD4E13F17 (1)
Weight, g/mol:	310.14769
ΔH_f, kcal/mol:	-126.07
Dipole, Da:	6.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754717
Charge, e:	-1

Chem-info

IUPAC name:

N-(5-tert-butyl-2-methylphenyl)sulfonyl-2-methylbutanimidate

Drug info:

PubChemData

Smile

CCC(C)C(=NS(=O)(=O)C1=C(C=CC(=C1)Br)OCC)[O-]

DOS

IR

Vibrations