Geometry & MOs

Info

ID:	81759
PubChem CID:	49855109
Reduced:	ClO2S3N5C17H18 (1)
Stoich.:	AB2C3D5E17F18 (1)
Weight, g/mol:	455.144967
ΔH_f, kcal/mol:	22.38
Dipole, Da:	7.1
IP(EA), eV:	-8.62(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[2-phenylethyl-[(E)-3-phenylprop-2-enyl]sulfonylamino]methyl]-1,3-thiazol-2-yl]guanidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN(CC2=CSC(=N2)N=C(N)N)S(=O)(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations