Geometry & MOs

Info

ID:	420215
PubChem CID:	135111882
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	366.124943
ΔH_f, kcal/mol:	-3.62
Dipole, Da:	4.09
IP(EA), eV:	-7.99(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]sulfonyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=O)C2=CC=CC=C2N1CC(=O)N3C[C@H]4CN([C@@H](C3)COC4)C

DOS

IR

Vibrations