Geometry & MOs

Info

ID:	137819
PubChem CID:	52267704
Reduced:	SN4O4C16H22 (1)
Stoich.:	AB4C4D16E22 (1)
Weight, g/mol:	367.144001
ΔH_f, kcal/mol:	-78.84
Dipole, Da:	7.92
IP(EA), eV:	-9.34(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-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

CC1=CC(=NO1)NC(=O)CSCC(=O)NC[C@@H](C2=CC=CO2)N(C)C

DOS

IR

Vibrations