Geometry & MOs

Info

ID:	444673
PubChem CID:	135263231
Reduced:	N3O3C31H33 (1)
Stoich.:	A3B3C31D33 (1)
Weight, g/mol:	413.188546
ΔH_f, kcal/mol:	-22.58
Dipole, Da:	7.19
IP(EA), eV:	-8.76(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1H-indol-3-yl)-3-methoxypropan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)C3(CC3)C4=CC5=C(C=C4)NC=C5C=O)N6CCCCC6

DOS

IR

Vibrations