Geometry & MOs

Info

ID:	162354
PubChem CID:	57394413
Reduced:	BrSO2N7H10C13 (1)
Stoich.:	ABC2D7E10F13 (1)
Weight, g/mol:	435.04627
ΔH_f, kcal/mol:	143.99
Dipole, Da:	3.58
IP(EA), eV:	-8.77(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(benzylamino)-1-phenylethyl] 2,3-dichlorobenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=C(N3C=CSC3=N2)/C=N\N=C(N)N)[N+](=O)[O-])Br

DOS

IR

Vibrations