Geometry & MOs

Info

ID:	69999
PubChem CID:	47206584
Reduced:	SN2O4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	359.01908
ΔH_f, kcal/mol:	-87.25
Dipole, Da:	7.46
IP(EA), eV:	-9.33(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromophenyl)methylsulfonyl]-N-(1-cyclopropylethyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CS(=O)(=O)CC2=NC(=NO2)C

DOS

IR

Vibrations