Geometry & MOs

Info

ID:	158843
PubChem CID:	56479561
Reduced:	ClS2N4O4C16H19 (1)
Stoich.:	AB2C4D4E16F19 (1)
Weight, g/mol:	374.058883
ΔH_f, kcal/mol:	-105.58
Dipole, Da:	4.99
IP(EA), eV:	-9.41(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,4-dichlorophenyl)-5,5-dimethylpyrazol-3-yl]oxy-1-phenylethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NC(=O)CN(C)C(=O)CN(C)S(=O)(=O)C2=CC=C(S2)Cl

DOS

IR

Vibrations