Geometry & MOs

Info

ID:	14722
PubChem CID:	419021
Reduced:	SCl3N3H24C27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	527.075652
ΔH_f, kcal/mol:	91.04
Dipole, Da:	2.92
IP(EA), eV:	-8.65(-0.74)
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)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NC(=CS2)C3=C(C=C(C=C3)N=CC4=CC=C(C=C4)N(CCCl)CCCl)Cl

DOS

IR

Vibrations