Geometry & MOs

Info

ID:	39032
PubChem CID:	8138400
Reduced:	OSN3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	351.140533
ΔH_f, kcal/mol:	26.11
Dipole, Da:	2.91
IP(EA), eV:	-8.88(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)[C@@H](C1=CC=CC=C1)SC2=NC=NC3=CC=CC=C32

DOS

IR

Vibrations