Geometry & MOs

Info

ID:	418061
PubChem CID:	135103450
Reduced:	OS2N5C21H23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	319.070071
ΔH_f, kcal/mol:	69.15
Dipole, Da:	2.57
IP(EA), eV:	-8.96(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl(thiophen-3-yl)methanone

Drug info:

PubChemData

Smile

CCNC(=O)[C@]1(C[C@H]2CC[C@@H]1N2C3=NN=C(S3)C4=CC=CC=C4)CC5=CSC=N5

DOS

IR

Vibrations