Geometry & MOs

Info

ID:	921
PubChem CID:	3534
Reduced:	OSN5C18H19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	353.131031
ΔH_f, kcal/mol:	42.37
Dipole, Da:	3.78
IP(EA), eV:	-8.46(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-morpholin-4-ylphenyl)sulfanylquinazoline-2,4-diamine

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(C=C2)SC3=CC=CC4=C3C(=NC(=N4)N)N

DOS

IR

Vibrations