Geometry & MOs

Info

ID:	416841
PubChem CID:	135090578
Reduced:	SO2N3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	400.193297
ΔH_f, kcal/mol:	-36.17
Dipole, Da:	2.38
IP(EA), eV:	-8.91(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

Drug info:

PubChemData

Smile

COCCN1C=NC=C1CN2CCC(CC2)C(C3=CC=CS3)O

DOS

IR

Vibrations