Geometry & MOs

Info

ID:	416756
PubChem CID:	135090289
Reduced:	OSN2C20H22 (1)
Stoich.:	ABC2D20E22 (1)
Weight, g/mol:	384.1452
ΔH_f, kcal/mol:	37.26
Dipole, Da:	5.17
IP(EA), eV:	-8.82(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-N-(3-chloro-4-methoxyphenyl)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C1C(=O)NCCC2=NC3=C(S2)CCCC3)C4=CC=CC=C4

DOS

IR

Vibrations