Geometry & MOs

Info

ID:	449997
PubChem CID:	135303029
Reduced:	SO3N4C20H30 (1)
Stoich.:	AB3C4D20E30 (1)
Weight, g/mol:	359.159354
ΔH_f, kcal/mol:	-36.39
Dipole, Da:	1.94
IP(EA), eV:	-7.07(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-[[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CS(C)(C)CCOCN1C=CC2=C1N=CN=C2N3CCC(C4(C3)CC4)C(=O)O

DOS

IR

Vibrations