Geometry & MOs

Info

ID:	301165
PubChem CID:	123067409
Reduced:	N3O4C30H31 (1)
Stoich.:	A3B4C30D31 (1)
Weight, g/mol:	499.199488
ΔH_f, kcal/mol:	-55.39
Dipole, Da:	11.16
IP(EA), eV:	-7.8(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butan-2-yl 3-[(4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)N4CCN(CC4)C)C5=CC=CC=C5)/O

DOS

IR

Vibrations