Geometry & MOs

Info

ID:	55530
PubChem CID:	17395508
Reduced:	ClSN3O3H12C13 (1)
Stoich.:	ABC3D3E12F13 (1)
Weight, g/mol:	297.111341
ΔH_f, kcal/mol:	-82.12
Dipole, Da:	5.45
IP(EA), eV:	-9.26(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CSC(=N1)NC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O

DOS

IR

Vibrations