Geometry & MOs

Info

ID:	447607
PubChem CID:	135284212
Reduced:	S2O3F4N5C21H21 (1)
Stoich.:	A2B3C4D5E21F21 (1)
Weight, g/mol:	462.175933
ΔH_f, kcal/mol:	-229.84
Dipole, Da:	8.75
IP(EA), eV:	-8.73(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclohexylpiperidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1CN([C@H](C[C@H]1C(F)(F)F)C2=CC=NN2)[C@H]3CCOC4=CC(=C(C=C34)F)S(=O)(=O)NC5=NC=CS5

DOS

IR

Vibrations