Geometry & MOs

Info

ID:	159744
PubChem CID:	57288693
Reduced:	ClSN2O6C17H23 (1)
Stoich.:	ABC2D6E17F23 (1)
Weight, g/mol:	287.159354
ΔH_f, kcal/mol:	-249.92
Dipole, Da:	6.35
IP(EA), eV:	-9.87(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-[3-(diaminomethylideneamino)propylamino]-3-oxopropyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCCCCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)CCC(=O)OC(=O)N)Cl

DOS

IR

Vibrations