Geometry & MOs

Info

ID:	31300
PubChem CID:	855544
Reduced:	OSN2C7H7 (2)
Stoich.:	ABC2D7E7 (2)
Weight, g/mol:	344.038627
ΔH_f, kcal/mol:	1.64
Dipole, Da:	0.94
IP(EA), eV:	-8.82(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetate

Drug info:

PubChemData

Smile

COC(=O)CSC1=NN=C2N1C=NC3=C2C4=C(S3)CCCC4

DOS

IR

Vibrations