Geometry & MOs

Info

ID:	340273
PubChem CID:	127262284
Reduced:	SCl2O2N5C8H11 (1)
Stoich.:	AB2C2D5E8F11 (1)
Weight, g/mol:	251.992461
ΔH_f, kcal/mol:	-23.18
Dipole, Da:	3.64
IP(EA), eV:	-9.14(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2-aminoethylsulfanyl)methanone;dihydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)N(/C(=N/N)/N)N

DOS

IR

Vibrations