Geometry & MOs

Info

ID:	144181
PubChem CID:	53328126
Reduced:	O5C16H16 (1)
Stoich.:	A5B16C16 (1)
Weight, g/mol:	445.134779
ΔH_f, kcal/mol:	-31.68
Dipole, Da:	2.74
IP(EA), eV:	-9.41(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-benzyl-4-(4-methoxyphenyl)sulfonyl-2-methyl-3H-furan-5-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2OOC(OO2)C3=CC=C(C=C3)CO

DOS

IR

Vibrations