Geometry & MOs

Info

ID:	177174
PubChem CID:	76143591
Reduced:	O2F3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	444.05467
ΔH_f, kcal/mol:	-213.63
Dipole, Da:	3.01
IP(EA), eV:	-9.78(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-chlorophenyl)-3,4-dihydro-2H-chromen-3-yl]-4-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC)C=CC1=CC=CC=C1C(F)(F)F

DOS

IR

Vibrations