Geometry & MOs

Info

ID:	233253
PubChem CID:	89449515
Reduced:	O2N7C20H23 (1)
Stoich.:	A2B7C20D23 (1)
Weight, g/mol:	539.081273
ΔH_f, kcal/mol:	39.7
Dipole, Da:	8.43
IP(EA), eV:	-8.85(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-thiazol-3-yl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C2N1N=C(N=C2C3=CN(N=C3)C(CC#N)C4CCCC4)NCC(=O)O

DOS

IR

Vibrations