Geometry & MOs

Info

ID:	135412
PubChem CID:	51868413
Reduced:	O2N3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	292.088164
ΔH_f, kcal/mol:	-70.56
Dipole, Da:	4.53
IP(EA), eV:	-9.17(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-[[(1R)-1-thiophen-2-ylethyl]amino]propyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC[C@H]4[C@H]3CCCC4

DOS

IR

Vibrations