Geometry & MOs

Info

ID:	57616
PubChem CID:	22426207
Reduced:	SN5O8H19C23 (1)
Stoich.:	AB5C8D19E23 (1)
Weight, g/mol:	520.113603
ΔH_f, kcal/mol:	-257.47
Dipole, Da:	9.61
IP(EA), eV:	-9.61(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-[2-[3-(4-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)CC2C(=O)N=C(S2)NC(C3=CC=C(C=C3)O)C4=C(NC(=O)NC4=O)O)C(=O)O

DOS

IR

Vibrations