Geometry & MOs

Info

ID:	444528
PubChem CID:	135262743
Reduced:	PO4H13C18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	489.23108
ΔH_f, kcal/mol:	-128.24
Dipole, Da:	0.32
IP(EA), eV:	-8.65(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C(=CC=C3)C4=C(C=CC(=C4)O)O)P(O2)O

DOS

IR

Vibrations