Geometry & MOs

Info

ID:	447032
PubChem CID:	135279699
Reduced:	SH13C19 (2)
Stoich.:	AB13C19 (2)
Weight, g/mol:	489.23108
ΔH_f, kcal/mol:	182.95
Dipole, Da:	0.36
IP(EA), eV:	-8.32(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=C/C=C(\C=C)/C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=C(S3)C5=C(S4)C=C(C=C5)C6=CC=C(C=C6)C7=CC=CC=C7

DOS

IR

Vibrations