Geometry & MOs

Info

ID:	300968
PubChem CID:	123058763
Reduced:	NO7C30H31 (1)
Stoich.:	AB7C30D31 (1)
Weight, g/mol:	544.257337
ΔH_f, kcal/mol:	-197.5
Dipole, Da:	7.25
IP(EA), eV:	-8.48(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-1-[4-(diethylamino)phenyl]-5-(4-ethoxy-3-methoxyphenyl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2/C(=C(\C3=CC(=CC=C3)OCC)/O)/C(=O)C(=O)N2C4=CC(=CC=C4)OCC)OC

DOS

IR

Vibrations