Geometry & MOs

Info

ID:	440820
PubChem CID:	135231666
Reduced:	O2N3C26H31 (1)
Stoich.:	A2B3C26D31 (1)
Weight, g/mol:	517.187164
ΔH_f, kcal/mol:	-24.6
Dipole, Da:	7.38
IP(EA), eV:	-8.32(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[C-methyl-N-[[2-(4-methylpiperazin-1-yl)pyridin-4-yl]methyl]carbonimidoyl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-2-carboximidamide

Drug info:

PubChemData

Smile

C/C=C\C1=CC=CC=C1N2CCN(CC2)CCCCOC3=CC4=C(C=C3)C=CC(=O)N4

DOS

IR

Vibrations