Geometry & MOs

Info

ID:	411438
PubChem CID:	135084269
Reduced:	BrO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	260.94591
ΔH_f, kcal/mol:	-98.61
Dipole, Da:	1.2
IP(EA), eV:	-9.55(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE)-N-[(4-bromophenyl)methylidene]methanesulfonamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)Br)/C=C/CCO

DOS

IR

Vibrations