Geometry & MOs

Info

ID:	447601
PubChem CID:	135284156
Reduced:	N4O5C18H26 (1)
Stoich.:	A4B5C18D26 (1)
Weight, g/mol:	558.10186
ΔH_f, kcal/mol:	-117.99
Dipole, Da:	5.69
IP(EA), eV:	-8.92(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethoxy)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC=C1C2=C(N(N=C2)C3CCCCO3)[N+](=O)[O-]

DOS

IR

Vibrations