Geometry & MOs

Info

ID:	39031
PubChem CID:	8138397
Reduced:	OSN3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	351.140533
ΔH_f, kcal/mol:	0.97
Dipole, Da:	5.29
IP(EA), eV:	-9.26(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N,N-diethyl-2-phenyl-2-quinazolin-4-ylsulfanylacetamide

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H](C)SC1=NC=NC2=CC=CC=C21

DOS

IR

Vibrations