Geometry & MOs

Info

ID:	420677
PubChem CID:	135114651
Reduced:	SN2O5C15H22 (1)
Stoich.:	AB2C5D15E22 (1)
Weight, g/mol:	368.196074
ΔH_f, kcal/mol:	-196.32
Dipole, Da:	5.37
IP(EA), eV:	-9.19(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]pyrimidin-2-yl]amino]acetic acid

Drug info:

PubChemData

Smile

CN(CCCOC1=CC=C(C=C1)C(=O)N)[C@@H]2CS(=O)(=O)C[C@H]2O

DOS

IR

Vibrations