Geometry & MOs

Info

ID:	406889
PubChem CID:	135078858
Reduced:	BrNSO5C14H18 (1)
Stoich.:	ABCD5E14F18 (1)
Weight, g/mol:	337.137921
ΔH_f, kcal/mol:	-141.44
Dipole, Da:	6.27
IP(EA), eV:	-9.23(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-2,2-ditert-butyl-4,7-dihydro-1,3,2-dioxasilepin-4-yl]methyl sulfamate

Drug info:

PubChemData

Smile

CO[C@H](/C=C/C1=CSC(=N1)Br)[C@@H](/C(=C\C(=O)OC)/OC)OC

DOS

IR

Vibrations