Geometry & MOs

Info

ID:	139874
PubChem CID:	52610222
Reduced:	SO2N3C22H29 (1)
Stoich.:	AB2C3D22E29 (1)
Weight, g/mol:	345.163674
ΔH_f, kcal/mol:	-26.39
Dipole, Da:	4.35
IP(EA), eV:	-8.48(0.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-2-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-1-thiophen-3-ylethyl]-diethylazanium

Drug info:

PubChemData

Smile

CCN(CC)[C@H](CNC(=O)C1=C(N(C(=C1)C)CC2=CC=CO2)C)C3=CSC=C3

DOS

IR

Vibrations