Geometry & MOs

Info

ID:	139198
PubChem CID:	52490234
Reduced:	Cl2S2N3O3H15C16 (1)
Stoich.:	A2B2C3D3E15F16 (1)
Weight, g/mol:	372.174573
ΔH_f, kcal/mol:	-27.33
Dipole, Da:	2.86
IP(EA), eV:	-9.02(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-methyl-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

C1=COC(=C1)CNC2=NN=C(S2)SC[C@@H](COC3=C(C=C(C=C3)Cl)Cl)O

DOS

IR

Vibrations