Geometry & MOs

Info

ID:	137821
PubChem CID:	52267706
Reduced:	SN4O4C16H22 (1)
Stoich.:	AB4C4D16E22 (1)
Weight, g/mol:	356.197417
ΔH_f, kcal/mol:	-77.77
Dipole, Da:	8.5
IP(EA), eV:	-8.95(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-(furan-2-yl)-2-[[(2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]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