Geometry & MOs

Info

ID:	40781
PubChem CID:	8144691
Reduced:	S2O3N4C18H28 (1)
Stoich.:	A2B3C4D18E28 (1)
Weight, g/mol:	247.119501
ΔH_f, kcal/mol:	-89.91
Dipole, Da:	4.33
IP(EA), eV:	-8.52(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(methylamino)-2-oxoethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N(C1=S)CN3CCOCC3

DOS

IR

Vibrations