Geometry & MOs

Info

ID:	32850
PubChem CID:	7848913
Reduced:	SN2O6H16C18 (1)
Stoich.:	AB2C6D16E18 (1)
Weight, g/mol:	356.083078
ΔH_f, kcal/mol:	-175.3
Dipole, Da:	1.88
IP(EA), eV:	-9.15(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(furan-2-ylmethyl)-4-oxo-2-prop-2-enylsulfanylquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

COC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CO3

DOS

IR

Vibrations