Geometry & MOs

Info

ID:	141073
PubChem CID:	52813448
Reduced:	SO3N5H17C21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	437.095789
ΔH_f, kcal/mol:	72.69
Dipole, Da:	7.89
IP(EA), eV:	-9.09(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC2=CC=CC=C2)C(=O)NC3=NNC(=C3)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations