Geometry & MOs

Info

ID:	227026
PubChem CID:	87559743
Reduced:	ClFSO2N4C22H24 (1)
Stoich.:	ABCD2E4F22G24 (1)
Weight, g/mol:	462.129253
ΔH_f, kcal/mol:	-66.72
Dipole, Da:	2.7
IP(EA), eV:	-9.25(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1F)N2C(=CC(=N2)CN(C)C(=O)OC(C)(C)C)SC3=CN=C(C=C3)Cl

DOS

IR

Vibrations