Geometry & MOs

Info

ID:	309080
PubChem CID:	126536383
Reduced:	ClNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	461.206088
ΔH_f, kcal/mol:	-40.34
Dipole, Da:	3.01
IP(EA), eV:	-8.47(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=C)[C@@H](C)CC1=CC(=C(C=C1)Cl)N

DOS

IR

Vibrations