Geometry & MOs

Info

ID:	298622
PubChem CID:	117651877
Reduced:	N2O3C36H48 (1)
Stoich.:	A2B3C36D48 (1)
Weight, g/mol:	449.138483
ΔH_f, kcal/mol:	-124.26
Dipole, Da:	6.4
IP(EA), eV:	-9.83(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[[3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]] N-[3-(trifluoromethyl)phenyl]carbamothioate

Drug info:

PubChemData

Smile

CC1(CCC2(CCC3(C(=C(CC4C3(CCC5C4(CC(C(=O)C5(C)C)C#N)C)C)C6=CC=NC=C6)C2C1)C)C(=O)O)C

DOS

IR

Vibrations