Geometry & MOs

Info

ID:	322079
PubChem CID:	126668520
Reduced:	O2F3H17C18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	557.139625
ΔH_f, kcal/mol:	-226.48
Dipole, Da:	2.51
IP(EA), eV:	-9.84(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-N-(6-fluoropyridin-2-yl)-4-methyl-4-[2-(6-methylpyridin-3-yl)-4-(trifluoromethyl)phenyl]-2,3-dihydrochromene-7-sulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations