Geometry & MOs

Info

ID:	420378
PubChem CID:	135112818
Reduced:	NSO3C22H29 (1)
Stoich.:	ABC3D22E29 (1)
Weight, g/mol:	318.169191
ΔH_f, kcal/mol:	-108.63
Dipole, Da:	3.49
IP(EA), eV:	-8.49(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=CC=C(O2)CN3CCC4(CC3)CC(CCO4)(C)O

DOS

IR

Vibrations