Geometry & MOs

Info

ID:	230487
PubChem CID:	87571035
Reduced:	OC2H4 (5)
Stoich.:	AB2C4 (5)
Weight, g/mol:	496.08315
ΔH_f, kcal/mol:	-259.0
Dipole, Da:	3.72
IP(EA), eV:	-10.26(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)ethyl-[(3Z)-3-tert-butylsulfinylimino-3-(4-fluorophenyl)propyl]carbamic acid

Drug info:

PubChemData

Smile

CCCC(C(=O)O)OC.CCOC(=O)C

DOS

IR

Vibrations