Geometry & MOs

Info

ID:	447611
PubChem CID:	135284219
Reduced:	N2O2C10H11 (2)
Stoich.:	A2B2C10D11 (2)
Weight, g/mol:	552.097112
ΔH_f, kcal/mol:	-69.07
Dipole, Da:	5.1
IP(EA), eV:	-8.83(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(N=C(N=C1OCC2=CC=C(C=C2)OC)OC(=O)C3=NNC(=C3)C)C

DOS

IR

Vibrations