Geometry & MOs

Info

ID:	39011
PubChem CID:	8138349
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	261.093583
ΔH_f, kcal/mol:	-37.74
Dipole, Da:	2.67
IP(EA), eV:	-9.24(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N,N-dimethyl-2-quinazolin-4-ylsulfanylpropanamide

Drug info:

PubChemData

Smile

CCCC1=C(C=C(S1)C(=O)NNC(=O)C2=CC=CN2)CC

DOS

IR

Vibrations