Geometry & MOs

Info

ID:	36764
PubChem CID:	8012410
Reduced:	FOS2N4C11H11 (1)
Stoich.:	ABC2D4E11F11 (1)
Weight, g/mol:	399.107519
ΔH_f, kcal/mol:	-15.31
Dipole, Da:	5.37
IP(EA), eV:	-8.81(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylsulfanylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)F)SC2=NN=C(S2)N

DOS

IR

Vibrations