Geometry & MOs

Info

ID:	437706
PubChem CID:	135226871
Reduced:	BrOSN2C17H23 (1)
Stoich.:	ABCD2E17F23 (1)
Weight, g/mol:	356.01941
ΔH_f, kcal/mol:	21.46
Dipole, Da:	6.92
IP(EA), eV:	-8.74(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-bromo-4-(cyclopropylmethoxy)phenyl]sulfonimidoyl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

C1CC1S(=N)(=O)C2=CC(=C(C=C2)NC3CCC4(CC3)CC4)Br

DOS

IR

Vibrations