Geometry & MOs

Info

ID:	298562
PubChem CID:	117651114
Reduced:	O2C5H8 (2)
Stoich.:	A2B5C8 (2)
Weight, g/mol:	482.13067
ΔH_f, kcal/mol:	-198.09
Dipole, Da:	2.77
IP(EA), eV:	-10.98(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[7-[4-cyano-2-deuterio-6-(trifluoromethyl)phenyl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-3,5-dideuterio-2-fluoro-N-(trideuteriomethyl)benzamide

Drug info:

PubChemData

Smile

CCC1(C(=O)OC(OC1=O)(C)CC)C

DOS

IR

Vibrations