Geometry & MOs

Info

ID:	422792
PubChem CID:	135118416
Reduced:	ClO4N7C30H36 (1)
Stoich.:	AB4C7D30E36 (1)
Weight, g/mol:	379.105371
ΔH_f, kcal/mol:	-87.13
Dipole, Da:	4.66
IP(EA), eV:	-9.36(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-difluoro-3-methoxyphenyl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C(=O)N2CCCNC(=O)[C@@H](NC(=O)C3=CC(=C(C=C3)OCCCN4C=C(C2)N=N4)Cl)CC5=CC=CC=C5

DOS

IR

Vibrations