Geometry & MOs

Info

ID:	422891
PubChem CID:	135118574
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	420.138675
ΔH_f, kcal/mol:	-59.23
Dipole, Da:	5.58
IP(EA), eV:	-8.84(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(4-chloro-2-methylphenyl)sulfonyl-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=NC=CS1)N2CCCOC3=C(C2)C=CC=C3OC

DOS

IR

Vibrations