Geometry & MOs

Info

ID:	300777
PubChem CID:	123054986
Reduced:	N2O5H28C32 (1)
Stoich.:	A2B5C28D32 (1)
Weight, g/mol:	507.06814
ΔH_f, kcal/mol:	-88.47
Dipole, Da:	10.51
IP(EA), eV:	-7.98(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-1-(4-bromophenyl)-5-(3-hydroxyphenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)NC4=CC=CC=C4)C5=CC(=CC=C5)O)/O

DOS

IR

Vibrations