Geometry & MOs

Info

ID:	141106
PubChem CID:	52819633
Reduced:	SO2N4H24C26 (1)
Stoich.:	AB2C4D24E26 (1)
Weight, g/mol:	473.149481
ΔH_f, kcal/mol:	13.15
Dipole, Da:	6.15
IP(EA), eV:	-7.94(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[4-(3-nitrophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-[4-(propan-2-ylcarbamoyl)piperidin-1-yl]methanolate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

DOS

IR

Vibrations