Geometry & MOs

Info

ID:	415911
PubChem CID:	135088913
Reduced:	NSO2C8H12 (2)
Stoich.:	ABC2D8E12 (2)
Weight, g/mol:	387.20591
ΔH_f, kcal/mol:	-158.72
Dipole, Da:	4.05
IP(EA), eV:	-8.83(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethylpyrazol-4-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=C3CCCCC3=CS2

DOS

IR

Vibrations