Geometry & MOs

Info

ID:	420182
PubChem CID:	135111707
Reduced:	N4O5C30H40 (1)
Stoich.:	A4B5C30D40 (1)
Weight, g/mol:	449.105468
ΔH_f, kcal/mol:	-185.44
Dipole, Da:	8.28
IP(EA), eV:	-8.36(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonyl-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)CC3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations