Geometry & MOs

Info

ID:	431608
PubChem CID:	135171696
Reduced:	SO2F3N4C24H33 (1)
Stoich.:	AB2C3D4E24F33 (1)
Weight, g/mol:	312.098918
ΔH_f, kcal/mol:	-208.74
Dipole, Da:	6.27
IP(EA), eV:	-8.3(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-acetyl-3-[(C-chloro-N-ethenylcarbonimidoyl)-methylamino]-4-ethenyl-3,4-dihydropyrazol-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)OC)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations