Geometry & MOs

Info

ID:	132918
PubChem CID:	51446180
Reduced:	FOS2N4H20C25 (1)
Stoich.:	ABC2D4E20F25 (1)
Weight, g/mol:	459.146407
ΔH_f, kcal/mol:	75.89
Dipole, Da:	13.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.889917
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-ethyl-2-[[2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)/C=C/4\C(=NC(=NC5=CC=C(C=C5)F)S4)[O-]

DOS

IR

Vibrations