Geometry & MOs

Info

ID:	47200
PubChem CID:	10530610
Reduced:	SN3O3C32H39 (1)
Stoich.:	AB3C3D32E39 (1)
Weight, g/mol:	545.005295
ΔH_f, kcal/mol:	-82.89
Dipole, Da:	8.49
IP(EA), eV:	-8.52(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]-3-(4-nitrophenyl)thiourea

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(CC3CCCCC3)C4=CN=CC=C4)C(=O)N[C@@H](CCSC)C(=O)O

DOS

IR

Vibrations