Geometry & MOs

Info

ID:	245011
PubChem CID:	99432125
Reduced:	SN2O6C25H28 (1)
Stoich.:	AB2C6D25E28 (1)
Weight, g/mol:	432.179755
ΔH_f, kcal/mol:	-194.87
Dipole, Da:	6.37
IP(EA), eV:	-9.51(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

DOS

IR

Vibrations