Geometry & MOs

Info

ID:	219505
PubChem CID:	85148771
Reduced:	SN6O6C23H30 (1)
Stoich.:	AB6C6D23E30 (1)
Weight, g/mol:	518.196332
ΔH_f, kcal/mol:	-214.07
Dipole, Da:	5.65
IP(EA), eV:	-8.7(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-methoxyphenyl)ethyl]-2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2CN=C3C(S2)C(=O)N=C(N3)N

DOS

IR

Vibrations