Geometry & MOs

Info

ID:	142502
PubChem CID:	53045319
Reduced:	FSO2N4H23C24 (1)
Stoich.:	ABC2D4E23F24 (1)
Weight, g/mol:	434.157661
ΔH_f, kcal/mol:	-25.18
Dipole, Da:	5.29
IP(EA), eV:	-8.32(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylphenyl)-2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CC2=C(N(N=C2C)C3=NC(=CS3)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations