Geometry & MOs

Info

ID:	311925
PubChem CID:	126599402
Reduced:	O5C13H20 (1)
Stoich.:	A5B13C20 (1)
Weight, g/mol:	430.173785
ΔH_f, kcal/mol:	-171.66
Dipole, Da:	6.44
IP(EA), eV:	-9.73(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(trimethyl-lambda4-sulfanyl)ethyl 6-[1,1-difluoro-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-methylindazole-1-carboxylate

Drug info:

PubChemData

Smile

COC/C=C(\C/C=C(\COC)/OC)/C=C/C(=O)O

DOS

IR

Vibrations