Geometry & MOs

Info

ID:	447608
PubChem CID:	135284216
Reduced:	S2O3N4C22H30 (1)
Stoich.:	A2B3C4D22E30 (1)
Weight, g/mol:	491.126124
ΔH_f, kcal/mol:	-75.69
Dipole, Da:	10.88
IP(EA), eV:	-8.97(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,8-difluoro-5-(2-pyridin-3-ylpiperidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)-6,7-dihydro-5H-naphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C2CCCCN2C3CCOC4=C3C=CC(=C4)S(=O)(=O)NC5=NC=NS5

DOS

IR

Vibrations