Geometry & MOs

Info

ID:	242914
PubChem CID:	99214136
Reduced:	SN2O2C21H26 (1)
Stoich.:	AB2C2D21E26 (1)
Weight, g/mol:	450.215472
ΔH_f, kcal/mol:	-62.96
Dipole, Da:	3.3
IP(EA), eV:	-8.87(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,7-trimethyl-N-[[2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethoxy]phenyl]methyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCSCC(=O)N[C@H](C1=CC=CC=C1)C(=O)NC2=CC=CC=C2

DOS

IR

Vibrations