Geometry & MOs

Info

ID:	217980
PubChem CID:	85088686
Reduced:	NPO4C23H32 (1)
Stoich.:	ABC4D23E32 (1)
Weight, g/mol:	417.135842
ΔH_f, kcal/mol:	-188.73
Dipole, Da:	4.7
IP(EA), eV:	-9.49(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[[2-[1-(5-methylfuran-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]benzenesulfonamide

Drug info:

PubChemData

Smile

CCCC(CC(C(OCC)P(=O)(C1=CC=CC=C1)C2=CC=CC=C2)O)NC(=O)C

DOS

IR

Vibrations