Geometry & MOs

Info

ID:	242875
PubChem CID:	99213537
Reduced:	SN4O5C20H20 (1)
Stoich.:	AB4C5D20E20 (1)
Weight, g/mol:	461.03865
ΔH_f, kcal/mol:	-105.27
Dipole, Da:	4.75
IP(EA), eV:	-9.03(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[4-[[2-(2-bromo-4-fluorophenoxy)acetyl]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

DOS

IR

Vibrations