Geometry & MOs

Info

ID:	447638
PubChem CID:	135284395
Reduced:	O3N4C26H38 (1)
Stoich.:	A3B4C26D38 (1)
Weight, g/mol:	419.108582
ΔH_f, kcal/mol:	-98.68
Dipole, Da:	3.59
IP(EA), eV:	-8.71(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NC(=NC=C2)NC3CC3)OCC(C)(CC(C)C)N(C(=O)O)C(C)(C)C

DOS

IR

Vibrations