Geometry & MOs

Info

ID:	71048
PubChem CID:	48414219
Reduced:	FON2C8H8 (2)
Stoich.:	ABC2D8E8 (2)
Weight, g/mol:	342.115047
ΔH_f, kcal/mol:	-122.03
Dipole, Da:	6.66
IP(EA), eV:	-8.97(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2CC(=O)N(C2)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations