Geometry & MOs

Info

ID:	325405
PubChem CID:	126683098
Reduced:	ClON7C23H32 (1)
Stoich.:	ABC7D23E32 (1)
Weight, g/mol:	402.102958
ΔH_f, kcal/mol:	18.28
Dipole, Da:	6.93
IP(EA), eV:	-8.35(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3S,4S)-4-aminothian-3-yl]amino]-3-(5-chloro-1H-indol-2-yl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC2=NC=C(C(=N2)NC3CCC4(CC3)CCN(CC4)C(=O)CC5CC5)Cl

DOS

IR

Vibrations