Geometry & MOs

Info

ID:	141517
PubChem CID:	52887921
Reduced:	FO3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	348.150764
ΔH_f, kcal/mol:	-129.25
Dipole, Da:	2.83
IP(EA), eV:	-9.49(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylpropanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)F)C

DOS

IR

Vibrations