Geometry & MOs

Info

ID:	32894
PubChem CID:	7849208
Reduced:	SO5C18H20 (1)
Stoich.:	AB5C18D20 (1)
Weight, g/mol:	418.156243
ΔH_f, kcal/mol:	-178.15
Dipole, Da:	5.39
IP(EA), eV:	-8.82(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(2R)-oxan-2-yl]methylsulfanyl]-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCOC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C

DOS

IR

Vibrations