Geometry & MOs

Info

ID:	414931
PubChem CID:	135087911
Reduced:	ClS2N3O3C18H20 (1)
Stoich.:	AB2C3D3E18F20 (1)
Weight, g/mol:	328.135782
ΔH_f, kcal/mol:	-65.35
Dipole, Da:	5.37
IP(EA), eV:	-9.64(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)[C@]1(C[C@H]2CC[C@@H]1N2S(=O)(=O)C3=CC=C(C=C3)Cl)CC4=CSC=N4

DOS

IR

Vibrations