Geometry & MOs

Info

ID:	318253
PubChem CID:	126650108
Reduced:	NO6C12H13 (1)
Stoich.:	AB6C12D13 (1)
Weight, g/mol:	538.118556
ΔH_f, kcal/mol:	-236.0
Dipole, Da:	6.84
IP(EA), eV:	-9.99(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(=O)O)N(CCC(=O)O)C(=O)O

DOS

IR

Vibrations