Geometry & MOs

Info

ID:	36302
PubChem CID:	8001408
Reduced:	N4O4C23H24 (1)
Stoich.:	A4B4C23D24 (1)
Weight, g/mol:	334.088832
ΔH_f, kcal/mol:	-78.34
Dipole, Da:	5.61
IP(EA), eV:	-8.77(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3-cyanophenyl)-2-quinazolin-4-ylsulfanylpropanamide

Drug info:

PubChemData

Smile

COC(=O)C1CCN(CC1)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)N=NC4=CC=CC=C4

DOS

IR

Vibrations