Geometry & MOs

Info

ID:	140737
PubChem CID:	52749032
Reduced:	SO2N3C22H34 (1)
Stoich.:	AB2C3D22E34 (1)
Weight, g/mol:	443.211687
ΔH_f, kcal/mol:	-68.68
Dipole, Da:	8.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756693
Charge, e:	1

Chem-info

IUPAC name:

[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-[(5-methylthiophen-2-yl)methyl]-propan-2-ylazanium

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H]1CC[C@H]([NH+](C1)CC(=O)NC2=CC=CC=C2SCC=C)C

DOS

IR

Vibrations