Geometry & MOs

Info

ID:	414949
PubChem CID:	135087929
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	424.214427
ΔH_f, kcal/mol:	2.1
Dipole, Da:	5.7
IP(EA), eV:	-8.91(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R,5S)-5-hydroxy-4-methyl-9-(3-methylsulfanylpropanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1,5-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)CC3=CC=CC=C3O

DOS

IR

Vibrations