Geometry & MOs

Info

ID:	422186
PubChem CID:	135117356
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	385.111457
ΔH_f, kcal/mol:	-79.0
Dipole, Da:	2.59
IP(EA), eV:	-7.93(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)sulfanyl-1-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C(C=C2OC)OC)NCCN3CCOCC3

DOS

IR

Vibrations