Geometry & MOs

Info

ID:	398680
PubChem CID:	135034787
Reduced:	NO2H15C17 (2)
Stoich.:	AB2C15D17 (2)
Weight, g/mol:	256.092186
ΔH_f, kcal/mol:	-30.06
Dipole, Da:	3.13
IP(EA), eV:	-8.33(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzylsulfanylmethyl)-2,3-dihydro-1-benzofuran

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C=C(C=C2)OCC=CCOC3=CC4=C(C=C3)C=C(C=C4)[C@@H](C)NC(=O)C5=CC=CC(=N5)C=O

DOS

IR

Vibrations