Geometry & MOs

Info

ID:	227590
PubChem CID:	87562053
Reduced:	ClFSO2N4C21H22 (1)
Stoich.:	ABCD2E4F21G22 (1)
Weight, g/mol:	448.113603
ΔH_f, kcal/mol:	-58.37
Dipole, Da:	7.98
IP(EA), eV:	-8.97(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(CC1=NN(C(=C1)SC2=CN=C(C=C2)Cl)C3=CC=CC=C3F)NC(=O)O

DOS

IR

Vibrations