Geometry & MOs

Info

ID:	41663
PubChem CID:	8146721
Reduced:	SN3O6C18H20 (1)
Stoich.:	AB3C6D18E20 (1)
Weight, g/mol:	387.194677
ΔH_f, kcal/mol:	-177.57
Dipole, Da:	11.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.781707
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3-[[benzyl(ethyl)amino]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CO1)[NH2+]CC2=NC3=C(C(=C(S3)C(=O)OC)CC(=O)OC)C(=O)N2

DOS

IR

Vibrations