Geometry & MOs

Info

ID:	416074
PubChem CID:	135089082
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	414.17887
ΔH_f, kcal/mol:	6.75
Dipole, Da:	3.88
IP(EA), eV:	-8.8(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R,5S)-9-[(3,4-difluorophenyl)methyl]-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-methylsulfanylacetamide

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1N(C)CC2=CC=C(C=C2)OC)C

DOS

IR

Vibrations