Geometry & MOs

Info

ID:	134575
PubChem CID:	51715246
Reduced:	N3O4H19C20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	400.03305
ΔH_f, kcal/mol:	-18.5
Dipole, Da:	4.91
IP(EA), eV:	-8.84(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=N\NC(=O)COC2=CC=CC=C2C#N)OCC=C

DOS

IR

Vibrations