Geometry & MOs

Info

ID:	414284
PubChem CID:	135087240
Reduced:	ON2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	412.14905
ΔH_f, kcal/mol:	-70.91
Dipole, Da:	6.23
IP(EA), eV:	-8.75(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1=C(N=CC=C1)NCC(CN2CCCCCC2)O

DOS

IR

Vibrations