Geometry & MOs

Info

ID:	422286
PubChem CID:	135117558
Reduced:	NC3H5 (5)
Stoich.:	AB3C5 (5)
Weight, g/mol:	355.145344
ΔH_f, kcal/mol:	29.45
Dipole, Da:	1.24
IP(EA), eV:	-8.19(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-4-methyl-9-(4-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1N(C)C)N2[C@@H]3CC[C@H]2CN(CC3)C

DOS

IR

Vibrations