Geometry & MOs

Info

ID:	231714
PubChem CID:	87574499
Reduced:	BrN2S3O6C28H33 (1)
Stoich.:	AB2C3D6E28F33 (1)
Weight, g/mol:	377.936572
ΔH_f, kcal/mol:	-198.37
Dipole, Da:	3.87
IP(EA), eV:	-7.88(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1C2=C(C=C(C1=NC3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)CCCCCCCCCCBr)NC4=CC=CC=C4S2

DOS

IR

Vibrations