Geometry & MOs

Info

ID:	234508
PubChem CID:	92298572
Reduced:	ClN3O4H8C14 (1)
Stoich.:	AB3C4D8E14 (1)
Weight, g/mol:	313.062008
ΔH_f, kcal/mol:	11.64
Dipole, Da:	7.66
IP(EA), eV:	-9.88(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[[(3R)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

C1=COC(=C1)/C=C(/C#N)\C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations