Geometry & MOs

Info

ID:	77503
PubChem CID:	49648856
Reduced:	SO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	364.105922
ΔH_f, kcal/mol:	-130.29
Dipole, Da:	5.11
IP(EA), eV:	-8.84(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclobutanecarbonyl)-3-(5-nitro-2-phenoxyphenyl)-3-oxopropanenitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC2CSCC3=CC=CC=C23

DOS

IR

Vibrations