Geometry & MOs

Info

ID:	421921
PubChem CID:	135116850
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	359.134443
ΔH_f, kcal/mol:	-99.57
Dipole, Da:	3.83
IP(EA), eV:	-8.2(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,4,5-trifluorophenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)OC)C(=O)N(C)[C@@H]3C[C@@H]4CC(=O)NC[C@@H]4C3

DOS

IR

Vibrations