Geometry & MOs

Info

ID:	307733
PubChem CID:	125308726
Reduced:	O2N5H17C22 (1)
Stoich.:	A2B5C17D22 (1)
Weight, g/mol:	370.146347
ΔH_f, kcal/mol:	86.31
Dipole, Da:	2.82
IP(EA), eV:	-9.0(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-1-[(2R)-butan-2-yl]-5-[[2-(2H-indol-3-yl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2[C@]3(C1=O)C(=C(O[C@H]4C3=C(N=N4)C5=CC=CC=C5)N)C#N

DOS

IR

Vibrations