Geometry & MOs

Info

ID:	374363
PubChem CID:	131327441
Reduced:	BrN2O3H9C10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	199.0667
ΔH_f, kcal/mol:	-33.26
Dipole, Da:	6.47
IP(EA), eV:	-8.53(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(propan-2-ylsulfonimidoyl)phenol

Drug info:

PubChemData

Smile

COC1=CC(=O)C(=C2C=C(ON2)N)C=C1Br

DOS

IR

Vibrations