Geometry & MOs

Info

ID:	81831
PubChem CID:	49855228
Reduced:	ClFN5C23H25 (1)
Stoich.:	ABC5D23E25 (1)
Weight, g/mol:	520.108437
ΔH_f, kcal/mol:	14.38
Dipole, Da:	3.72
IP(EA), eV:	-8.57(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-[4-(2-chlorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]-1,3-thiazol-5-yl]tetrazol-2-yl]acetic acid

Drug info:

PubChemData

Smile

C1CC(CCC1N)NC2=NC=C(C(=C2)C3=NC(=CC=C3)NCC4=CC(=CC=C4)F)Cl

DOS

IR

Vibrations