Geometry & MOs

Info

ID:	417906
PubChem CID:	135103041
Reduced:	ClO3N4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	407.187878
ΔH_f, kcal/mol:	-92.1
Dipole, Da:	1.51
IP(EA), eV:	-8.97(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)N)N2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O)Cl

DOS

IR

Vibrations