Geometry & MOs

Info

ID:	169988
PubChem CID:	75177104
Reduced:	SO3N4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	511.097808
ΔH_f, kcal/mol:	-28.01
Dipole, Da:	5.58
IP(EA), eV:	-7.99(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-2-hydroxyiminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3N2)OCC(C)C

DOS

IR

Vibrations