Geometry & MOs

Info

ID:	417304
PubChem CID:	135091965
Reduced:	SO3N5C18H25 (1)
Stoich.:	AB3C5D18E25 (1)
Weight, g/mol:	339.104148
ΔH_f, kcal/mol:	-69.44
Dipole, Da:	4.54
IP(EA), eV:	-9.28(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C2=NC(=NC=C2)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C)C

DOS

IR

Vibrations