Geometry & MOs

Info

ID:	31922
PubChem CID:	3723563
Reduced:	NOC11H17 (2)
Stoich.:	ABC11D17 (2)
Weight, g/mol:	533.997461
ΔH_f, kcal/mol:	-104.33
Dipole, Da:	3.0
IP(EA), eV:	-8.54(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-chlorophenyl)sulfonyl-1-methyl-3-phenylpyrazol-4-yl]methyl 2,4-dichlorobenzoate

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC=C(C=C2)NC(=O)N3CCOCC3

DOS

IR

Vibrations