Geometry & MOs

Info

ID:	444693
PubChem CID:	135263273
Reduced:	SN3O5C30H37 (1)
Stoich.:	AB3C5D30E37 (1)
Weight, g/mol:	453.219846
ΔH_f, kcal/mol:	-157.3
Dipole, Da:	5.46
IP(EA), eV:	-8.09(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-indol-3-yl)-1-(oxan-4-yl)ethyl]-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)CC3=CC(=C(C=C3)N4CCS(=O)(=O)CC4)O)N5CCCCC5

DOS

IR

Vibrations