Geometry & MOs

Info

ID:	414680
PubChem CID:	135087639
Reduced:	SN2O4C17H26 (1)
Stoich.:	AB2C4D17E26 (1)
Weight, g/mol:	404.151826
ΔH_f, kcal/mol:	-164.79
Dipole, Da:	2.73
IP(EA), eV:	-9.67(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(3,4-dimethoxyphenyl)sulfonylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations