Geometry & MOs

Info

ID:	415319
PubChem CID:	135088313
Reduced:	SO2N4C17H21 (2)
Stoich.:	AB2C4D17E21 (2)
Weight, g/mol:	345.171577
ΔH_f, kcal/mol:	-64.78
Dipole, Da:	7.45
IP(EA), eV:	-9.22(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-methoxy-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CC1=NN2CC(=O)N[C@H](CN(CC(=O)N[C@H](C3=NC(=CS3)C(=O)N[C@H](C2=N1)CC4=CC=CC=C4)CC(C)C)C(=O)C5=CC=CS5)C(C)C

DOS

IR

Vibrations