Geometry & MOs

Info

ID:	68920
PubChem CID:	46512075
Reduced:	ClNSF2O5H18C20 (1)
Stoich.:	ABCD2E5F18G20 (1)
Weight, g/mol:	491.080551
ΔH_f, kcal/mol:	-251.23
Dipole, Da:	6.42
IP(EA), eV:	-9.7(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-methoxy-2-oxochromen-4-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC(=O)C3=C(C=CC(=C3)F)F

DOS

IR

Vibrations