Geometry & MOs

Info

ID:	227753
PubChem CID:	87562392
Reduced:	O3N5C12H15 (1)
Stoich.:	A3B5C12D15 (1)
Weight, g/mol:	558.060309
ΔH_f, kcal/mol:	-57.91
Dipole, Da:	6.54
IP(EA), eV:	-9.19(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)/C(=N/NC(=O)C2CN(C2)C(=O)O)/N

DOS

IR

Vibrations