Geometry & MOs

Info

ID:	176722
PubChem CID:	76088856
Reduced:	S3Cl5N20O23C134H161 (1)
Stoich.:	A3B5C20D23E134F161 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-737.71
Dipole, Da:	17.8
IP(EA), eV:	-8.4(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-4-ethoxy-1-ethylimidazolidin-2-one

Drug info:

Smile

CCC(C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(C)(C)C)N2C(=O)C(OC2=O)(C)C)OC3=C(C=C(C=C3)C)C.CCN1CC(N(C1=O)CC2=CC=CC=C2)OCC.CC1=CC=C(C=C1)OS(=O)N=C2N(N=C(S2)C)C(C(=O)C(C)(C)C)C(=O)NC3=C(C=CC(=C3)NC(=O)CCCOC4=C(C=C(C=C4)C)C)Cl.CC1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C(C(=O)C(C)(C)C)N3C=NC(=N3)Cl)C.CC1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C(C(=O)C(C)(C)C)N3C(=NC=N3)SC)C

DOS

IR

Vibrations