Geometry & MOs

Info

ID:	227589
PubChem CID:	87562049
Reduced:	NO3H15C22 (1)
Stoich.:	AB3C15D22 (1)
Weight, g/mol:	448.113603
ΔH_f, kcal/mol:	24.44
Dipole, Da:	4.14
IP(EA), eV:	-9.16(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[5-(6-chloropyridin-3-yl)sulfanyl-1-(2-fluorophenyl)pyrazol-3-yl]-3,3-dimethylbutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=NC=C1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)C=O

DOS

IR

Vibrations