Geometry & MOs

Info

ID:	194544
PubChem CID:	78553111
Reduced:	FSN2O4H17C19 (1)
Stoich.:	ABC2D4E17F19 (1)
Weight, g/mol:	394.1021
ΔH_f, kcal/mol:	-157.64
Dipole, Da:	5.81
IP(EA), eV:	-8.97(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-methylsulfanylethylsulfanyl)-4-oxo-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

DOS

IR

Vibrations