Geometry & MOs

Info

ID:	447605
PubChem CID:	135284202
Reduced:	S2F3O3N6C21H23 (1)
Stoich.:	A2B3C3D6E21F23 (1)
Weight, g/mol:	442.113333
ΔH_f, kcal/mol:	-164.44
Dipole, Da:	12.13
IP(EA), eV:	-8.94(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC=N1)[C@H]2C[C@H](CCN2[C@H]3CCOC4=C3C=CC(=C4)S(=O)(=O)NC5=NC=NS5)C(F)(F)F

DOS

IR

Vibrations