Geometry & MOs

Info

ID:	32100
PubChem CID:	4266058
Reduced:	ClON4H19C21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	410.093643
ΔH_f, kcal/mol:	65.5
Dipole, Da:	1.18
IP(EA), eV:	-8.7(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(C=C2)Cl)C3=NC=NC4=C3OC5=CC=CC=C54

DOS

IR

Vibrations