Geometry & MOs

Info

ID:	415047
PubChem CID:	135088033
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	387.136511
ΔH_f, kcal/mol:	-81.54
Dipole, Da:	1.44
IP(EA), eV:	-9.4(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)CNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations