Geometry & MOs

Info

ID:	12858
PubChem CID:	147095
Reduced:	BrSO3N4C18H23 (1)
Stoich.:	ABC3D4E18F23 (1)
Weight, g/mol:	454.06742
ΔH_f, kcal/mol:	-15.5
Dipole, Da:	5.22
IP(EA), eV:	-9.36(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-azido-2-bromophenyl)methyl-ethyl-dimethylazanium;4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC[N+](C)(C)CC1=C(C=C(C=C1)N=[N+]=[N-])Br.CC1=CC=C(C=C1)S(=O)(=O)[O-]

DOS

IR

Vibrations