Geometry & MOs

Info

ID:	418702
PubChem CID:	135106600
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	381.227709
ΔH_f, kcal/mol:	-53.56
Dipole, Da:	2.75
IP(EA), eV:	-9.46(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyrimidin-4-yl]piperidin-4-ol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C(C)C)C(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations