Geometry & MOs

Info

ID:	32845
PubChem CID:	7848896
Reduced:	SN3O4H15C18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	344.083078
ΔH_f, kcal/mol:	-66.45
Dipole, Da:	4.71
IP(EA), eV:	-9.33(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethylsulfanyl-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C#N)SC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CO3

DOS

IR

Vibrations