Geometry & MOs

Info

ID:	444733
PubChem CID:	135263393
Reduced:	SO4N5C30H39 (1)
Stoich.:	AB4C5D30E39 (1)
Weight, g/mol:	183.053158
ΔH_f, kcal/mol:	-104.01
Dipole, Da:	6.07
IP(EA), eV:	-8.04(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,5-dioxopyrrolidin-1-yl)-2-methylprop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)CC3=CN=C(N=C3)N4CCCC(C4)S(=O)(=O)C)N5CCCCC5

DOS

IR

Vibrations