Geometry & MOs

Info

ID:	374171
PubChem CID:	131324806
Reduced:	BrO2N3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	377.86481
ΔH_f, kcal/mol:	18.37
Dipole, Da:	4.41
IP(EA), eV:	-8.9(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-3-methoxy-5-methylsulfanylbenzenesulfonyl chloride

Drug info:

PubChemData

Smile

CCN1C(=C2C=CN=C2)C(=C(N1)C(=O)O)Br

DOS

IR

Vibrations