Geometry & MOs

Info

ID:	421933
PubChem CID:	135116866
Reduced:	SO3N5C17H27 (1)
Stoich.:	AB3C5D17E27 (1)
Weight, g/mol:	402.205576
ΔH_f, kcal/mol:	-109.64
Dipole, Da:	2.83
IP(EA), eV:	-8.4(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)CCNS(=O)(=O)C

DOS

IR

Vibrations