Geometry & MOs

Info

ID:	32890
PubChem CID:	7849188
Reduced:	BrSN2O3C17H21 (1)
Stoich.:	ABC2D3E17F21 (1)
Weight, g/mol:	370.119858
ΔH_f, kcal/mol:	-114.16
Dipole, Da:	3.0
IP(EA), eV:	-8.82(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

C[C@H](CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)C(C)(C)C)O

DOS

IR

Vibrations