Geometry & MOs

Info

ID:	312822
PubChem CID:	126608916
Reduced:	OSN3C23H27 (1)
Stoich.:	ABC3D23E27 (1)
Weight, g/mol:	264.94083
ΔH_f, kcal/mol:	54.12
Dipole, Da:	4.05
IP(EA), eV:	-7.96(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-bromo-3-methylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CCCCC(C)(C=C)C1=CSC=C1N2C=CN([C@H]2C)C3=CC=C(C=C3)N=C=O

DOS

IR

Vibrations