Geometry & MOs

Info

ID:	76801
PubChem CID:	48425402
Reduced:	FN3O3C17H24 (1)
Stoich.:	AB3C3D17E24 (1)
Weight, g/mol:	400.141656
ΔH_f, kcal/mol:	-178.1
Dipole, Da:	6.98
IP(EA), eV:	-9.77(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-5-nitrofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CCCNC(=O)C1=CC=C(C=C1)F

DOS

IR

Vibrations