Geometry & MOs

Info

ID:	402466
PubChem CID:	135056081
Reduced:	SN2O7C17H26 (1)
Stoich.:	AB2C7D17E26 (1)
Weight, g/mol:	284.050715
ΔH_f, kcal/mol:	-244.03
Dipole, Da:	5.62
IP(EA), eV:	-9.7(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(furan-2-yl)-2-methylsulfanylfuran-3-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](C1=CC=CC=C1)C(CCCOS(=O)(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations