Geometry & MOs

Info

ID:	61440
PubChem CID:	26709424
Reduced:	S2N3O3C23H23 (1)
Stoich.:	A2B3C3D23E23 (1)
Weight, g/mol:	439.210721
ΔH_f, kcal/mol:	-25.87
Dipole, Da:	11.18
IP(EA), eV:	-8.78(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C[C@@H]4CCCO4)C5=CC=CS5

DOS

IR

Vibrations