Geometry & MOs

Info

ID:	32877
PubChem CID:	7849058
Reduced:	FNSO5H16C17 (1)
Stoich.:	ABCD5E16F17 (1)
Weight, g/mol:	410.130028
ΔH_f, kcal/mol:	-186.33
Dipole, Da:	6.51
IP(EA), eV:	-9.72(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2R)-2-hydroxypropyl]-4-oxo-2-[(E)-3-phenylprop-2-enyl]sulfanylquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CN(CC(=O)OCC(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations