Geometry & MOs

Info

ID:	337870
PubChem CID:	127258493
Reduced:	BrN2O3H9C10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	290.037958
ΔH_f, kcal/mol:	-60.97
Dipole, Da:	2.42
IP(EA), eV:	-9.35(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)sulfonylethyl butanoate

Drug info:

PubChemData

Smile

CC(=O)/C(=N/NC1=CC=C(C=C1)Br)/C(=O)O

DOS

IR

Vibrations