Geometry & MOs

Info

ID:	242879
PubChem CID:	99213556
Reduced:	SN4O5C23H26 (1)
Stoich.:	AB4C5D23E26 (1)
Weight, g/mol:	462.133948
ΔH_f, kcal/mol:	-130.8
Dipole, Da:	6.43
IP(EA), eV:	-8.96(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[4-[[4-fluoro-2-(furan-3-carbonylamino)benzoyl]amino]phenyl]pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C=C1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)NC(C)(C)C

DOS

IR

Vibrations