Geometry & MOs

Info

ID:	139486
PubChem CID:	52540540
Reduced:	ClSF2N2O4H13C21 (1)
Stoich.:	ABC2D2E4F13G21 (1)
Weight, g/mol:	430.176681
ΔH_f, kcal/mol:	-158.96
Dipole, Da:	5.27
IP(EA), eV:	-9.1(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(E)-3-acetyl-1-[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]oxy-4-iminopent-2-en-2-olate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CO1)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations