Geometry & MOs

Info

ID:	142501
PubChem CID:	53045293
Reduced:	OSN4C24H24 (1)
Stoich.:	ABC4D24E24 (1)
Weight, g/mol:	450.152575
ΔH_f, kcal/mol:	49.09
Dipole, Da:	3.24
IP(EA), eV:	-8.55(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=C(C(=N3)C)CC(=O)NC4=CC=C(C=C4)C)C

DOS

IR

Vibrations