Geometry & MOs

Info

ID:	128085
PubChem CID:	51030459
Reduced:	ON3H9C12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	474.093266
ΔH_f, kcal/mol:	109.91
Dipole, Da:	5.92
IP(EA), eV:	-9.19(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-sulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C(=CC=C2)N=C(N=C3NCC4=CC=CC=N4)C5=CC(=NO5)C(=O)N

DOS

IR

Vibrations