Geometry & MOs

Info

ID:	137817
PubChem CID:	52267698
Reduced:	Cl2N2O3C16H18 (1)
Stoich.:	A2B2C3D16E18 (1)
Weight, g/mol:	367.144001
ΔH_f, kcal/mol:	-117.67
Dipole, Da:	2.04
IP(EA), eV:	-9.28(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-(furan-2-yl)-2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)C(=O)N2CCN(CC2)C(=O)C3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations