Geometry & MOs

Info

ID:	404017
PubChem CID:	135064495
Reduced:	N2O4S4H12C13 (1)
Stoich.:	A2B4C4D12E13 (1)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	-70.62
Dipole, Da:	6.61
IP(EA), eV:	-9.09(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 5-(cyclohexylamino)-1-phenylpyrazole-3,4-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1S(=O)(=O)C2=CC=CS2)C)S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations