Geometry & MOs

Info

ID:	39012
PubChem CID:	8138352
Reduced:	OSN3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	349.124883
ΔH_f, kcal/mol:	8.69
Dipole, Da:	1.93
IP(EA), eV:	-9.15(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-phenyl-1-pyrrolidin-1-yl-2-quinazolin-4-ylsulfanylethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations