Geometry & MOs

Info

ID:	174546
PubChem CID:	75782313
Reduced:	ClN2O3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	478.977729
ΔH_f, kcal/mol:	-98.35
Dipole, Da:	7.25
IP(EA), eV:	-8.63(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-(2,4-dichlorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)C(CNC(=O)CC1=CC2=C(C=C1)OCCCO2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations