Geometry & MOs

Info

ID:	447613
PubChem CID:	135284237
Reduced:	S2O3N4C16H20 (1)
Stoich.:	A2B3C4D16E20 (1)
Weight, g/mol:	448.085067
ΔH_f, kcal/mol:	-56.46
Dipole, Da:	11.54
IP(EA), eV:	-8.93(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCOC3=C2C=CC(=C3)S(=O)(=O)NC4=NC=NS4

DOS

IR

Vibrations