Geometry & MOs

Info

ID:	132612
PubChem CID:	51386586
Reduced:	NO4C17H23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	335.085424
ΔH_f, kcal/mol:	-137.08
Dipole, Da:	3.81
IP(EA), eV:	-9.43(0.15)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(4S)-4-(1,3-benzodioxol-5-yl)-1,4,5,6-tetrahydrobenzo[h]quinazoline-2-thiolate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)C4CCCCC4)O2

DOS

IR

Vibrations