Geometry & MOs

Info

ID:	126902
PubChem CID:	50983540
Reduced:	SO2N5C16H23 (1)
Stoich.:	AB2C5D16E23 (1)
Weight, g/mol:	360.14337
ΔH_f, kcal/mol:	-17.01
Dipole, Da:	5.67
IP(EA), eV:	-8.86(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NC(=NN1)SCC(=O)NCC(C2=CC=CO2)N3CCCC3

DOS

IR

Vibrations