Geometry & MOs

Info

ID:	137705
PubChem CID:	52247142
Reduced:	SN2O5C14H16 (1)
Stoich.:	AB2C5D14E16 (1)
Weight, g/mol:	376.02182
ΔH_f, kcal/mol:	-113.42
Dipole, Da:	8.05
IP(EA), eV:	-10.19(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-(5-bromo-2-ethoxyphenyl)sulfonyl-2-ethylbutanimidate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC(=O)[C@H]2CCC=CC2

DOS

IR

Vibrations