Geometry & MOs

Info

ID:	423384
PubChem CID:	135119403
Reduced:	SO4N6C24H34 (1)
Stoich.:	AB4C6D24E34 (1)
Weight, g/mol:	255.183444
ΔH_f, kcal/mol:	-122.16
Dipole, Da:	4.36
IP(EA), eV:	-8.4(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]pentanoic acid

Drug info:

PubChemData

Smile

CC1=C2C=C(C=C1)OCCCN3C=C(CN(CCCNC(=O)[C@@H](NC2=O)CCSC)C(=O)C)N=N3

DOS

IR

Vibrations