Geometry & MOs

Info

ID:	138209
PubChem CID:	52328328
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	254.163043
ΔH_f, kcal/mol:	-69.29
Dipole, Da:	10.07
IP(EA), eV:	-9.37(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-2-[2-hydroxyethyl(propyl)amino]-N-methylacetamide

Drug info:

PubChemData

Smile

CCCOC(=O)CSC1=NC(=O)[C@H]([C@@H]([C@H]1C#N)C2=CC=CC=C2OCC)C#N

DOS

IR

Vibrations