Geometry & MOs

Info

ID:	318332
PubChem CID:	126650530
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	535.11889
ΔH_f, kcal/mol:	-162.88
Dipole, Da:	7.0
IP(EA), eV:	-8.95(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-N-(6-fluoropyridin-2-yl)-4-[2-(2-oxopyrrolidin-1-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]([C@@H](CN1C(=O)O)CO)C2=CC=C(C=C2)OC

DOS

IR

Vibrations