Geometry & MOs

Info

ID:	448939
PubChem CID:	135294613
Reduced:	ICl2N5C15H16 (1)
Stoich.:	AB2C5D15E16 (1)
Weight, g/mol:	388.239579
ΔH_f, kcal/mol:	63.97
Dipole, Da:	2.25
IP(EA), eV:	-8.49(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R,4S)-3-methyl-4-[[(R)-2-methylbutan-2-ylsulfinyl]amino]-2-oxa-8-azaspiro[4.5]decane-8-carboxylate

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=CN=C(C(=N2)N)C3=C(C(=CC=C3)Cl)Cl)NI

DOS

IR

Vibrations