Geometry & MOs

Info

ID:	318265
PubChem CID:	126650168
Reduced:	ON3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	482.092341
ΔH_f, kcal/mol:	-2.39
Dipole, Da:	1.5
IP(EA), eV:	-7.76(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-N-(6-fluoropyridin-2-yl)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

CCCCCCCC1NC2=C(C=N1)NC3=CC=CC=C3O2

DOS

IR

Vibrations