Geometry & MOs

Info

ID:	415059
PubChem CID:	135088045
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	324.169859
ΔH_f, kcal/mol:	-64.21
Dipole, Da:	7.4
IP(EA), eV:	-8.36(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)S(=O)(=O)N3C[C@H]4CN([C@@H](C3)COC4)C)N=CC=C2

DOS

IR

Vibrations