Geometry & MOs

Info

ID:	56443
PubChem CID:	17425474
Reduced:	O4N5H15C16 (1)
Stoich.:	A4B5C15D16 (1)
Weight, g/mol:	370.019433
ΔH_f, kcal/mol:	-68.63
Dipole, Da:	2.01
IP(EA), eV:	-8.41(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations