Geometry & MOs

Info

ID:	227959
PubChem CID:	87563130
Reduced:	S2N3O4C16H21 (1)
Stoich.:	A2B3C4D16E21 (1)
Weight, g/mol:	338.141262
ΔH_f, kcal/mol:	-141.45
Dipole, Da:	5.46
IP(EA), eV:	-8.58(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-methylsulfonylethylamino)butoxy]quinazolin-2-amine

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2C(=O)N)NCC(C=O)SC3CC(NC3)C(=O)O

DOS

IR

Vibrations