Geometry & MOs

Info

ID:	36884
PubChem CID:	8014235
Reduced:	ClSN2O4C17H17 (1)
Stoich.:	ABC2D4E17F17 (1)
Weight, g/mol:	395.093977
ΔH_f, kcal/mol:	-115.34
Dipole, Da:	6.07
IP(EA), eV:	-8.94(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-methoxy-4-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=C(C=C(C=C2)SC)OC

DOS

IR

Vibrations