Geometry & MOs

Info

ID:	321082
PubChem CID:	126664650
Reduced:	ON3C10H10 (2)
Stoich.:	AB3C10D10 (2)
Weight, g/mol:	402.14741
ΔH_f, kcal/mol:	16.36
Dipole, Da:	10.49
IP(EA), eV:	-8.94(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3R,4R)-4-amino-1,1-dihydroxythian-3-yl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@@H](C1)NC2=CN=C(C(=N2)C3=CC4=CC=CC=C4N3)C#N)NC(=O)O

DOS

IR

Vibrations