Geometry & MOs

Info

ID:	41784
PubChem CID:	8147109
Reduced:	N2S2O3C16H16 (1)
Stoich.:	A2B2C3D16E16 (1)
Weight, g/mol:	343.099063
ΔH_f, kcal/mol:	-71.33
Dipole, Da:	4.26
IP(EA), eV:	-8.92(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NCCSCC3=CC=CO3

DOS

IR

Vibrations