Geometry & MOs

Info

ID:	45043
PubChem CID:	10507456
Reduced:	SN3O3C33H61 (1)
Stoich.:	AB3C3D33E61 (1)
Weight, g/mol:	579.096391
ΔH_f, kcal/mol:	-218.96
Dipole, Da:	4.93
IP(EA), eV:	-9.11(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1R,2R,7R)-2-benzamido-7-(2,6-dichlorophenyl)-3-oxo-1-phenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCN(CCCCCCCCCC)S(=O)(=O)NC(=O)NC1=C(C=CC=C1C(C)C)C(C)C

DOS

IR

Vibrations