Geometry & MOs

Info

ID:	322101
PubChem CID:	126668601
Reduced:	ClOSN2H23C26 (1)
Stoich.:	ABCD2E23F26 (1)
Weight, g/mol:	577.97842
ΔH_f, kcal/mol:	56.25
Dipole, Da:	3.93
IP(EA), eV:	-8.44(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2=C(C=CC(=C2)Cl)C3CCOC4=C3C=CC(=C4)SCC5=CC=CC=C5

DOS

IR

Vibrations