Geometry & MOs

Info

ID:	68956
PubChem CID:	46513571
Reduced:	ON5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	439.154349
ΔH_f, kcal/mol:	58.61
Dipole, Da:	4.24
IP(EA), eV:	-9.41(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(=O)N(C)C(C)C2=CC=C(C=C2)N3C=NC=N3

DOS

IR

Vibrations