Geometry & MOs

Info

ID:	172093
PubChem CID:	75465415
Reduced:	SN3O4C15H23 (1)
Stoich.:	AB3C4D15E23 (1)
Weight, g/mol:	250.07537
ΔH_f, kcal/mol:	-176.55
Dipole, Da:	7.1
IP(EA), eV:	-9.78(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetate

Drug info:

PubChemData

Smile

CCCNC(=O)CCC(=O)NC1=NC(=C(S1)CC(C)C)C(=O)O

DOS

IR

Vibrations