Geometry & MOs

Info

ID:	14771
PubChem CID:	420222
Reduced:	SO2Cl3N3H28C29 (1)
Stoich.:	AB2C3D3E28F29 (1)
Weight, g/mol:	587.096781
ΔH_f, kcal/mol:	20.24
Dipole, Da:	3.29
IP(EA), eV:	-8.63(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(2-benzyl-1,3-thiazol-4-yl)-3-chlorophenyl]iminomethyl]-N,N-bis(2-chloroethyl)-2,5-dimethoxyaniline

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C=NC2=CC(=C(C=C2)C3=CSC(=N3)CC4=CC=CC=C4)Cl)OC)N(CCCl)CCCl

DOS

IR

Vibrations