Geometry & MOs

Info

ID:	121716
PubChem CID:	50778592
Reduced:	ON5C24H27 (1)
Stoich.:	AB5C24D27 (1)
Weight, g/mol:	431.093977
ΔH_f, kcal/mol:	50.31
Dipole, Da:	2.5
IP(EA), eV:	-8.72(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(benzylamino)-2-oxochromen-3-yl]-4-cyanobenzenesulfonamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CCNC(=O)C2=CC(=CC=C2)NC3=NN=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations