Geometry & MOs

Info

ID:	298660
PubChem CID:	117653674
Reduced:	NSO4C14H15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	340.105066
ΔH_f, kcal/mol:	-133.79
Dipole, Da:	7.35
IP(EA), eV:	-9.25(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-amino-6-chloro-5-formamidopyrimidin-4-yl)-5,8-diazaspiro[3.5]nonane-8-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1C)C)C(=O)O)C2=CSC=C2)C(=O)O

DOS

IR

Vibrations